SCHEMBL4780753

SCHEMBL4780753

CCC(=O)Nc1ccccc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.72
ALDH1A1 P00352 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
POLB P06746 2/20 0.67
HTT P42858 2/20 0.66
GAA P10253 2/20 0.65
MAPT P10636 3/20 0.63
HSD17B10 Q99714 1/20 0.63
LMNA P02545 1/20 0.63
USP2 O75604 1/20 0.63
TSHR P16473 1/20 0.63
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2007035 0.89 MEN1 (0.76) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL5183678 0.86 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL30738420 0.86 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL14899353 0.86 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL5188518 0.84 GAA (0.81) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL31561745 0.84 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL3129403 0.84 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL31590799 0.84 KMT2A (0.69) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL9191016 0.84 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL1645833 0.84 ADRA2C (0.67) SMN1; SMN2ALDH1A1MEN1KMT2APOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-29 US disclosed
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-22 US disclosed
US-20190016723-A9 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-01-17 US disclosed
US-20180194768-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-07-12 US disclosed
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 US disclosed
EP-2474545-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-11-09 EP disclosed
EP-2426129-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-11-02 EP disclosed
EP-2455382-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-10-26 EP disclosed
WO-2016092327-A1 PRO-SURVIVAL COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2016-06-16 WO disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed
US-7368467-B2 Calcium channel modulators 2-(alkyl or (hetero)arylalkylthio)-imidazoles and S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders WYETH (US) 2008-05-06 US disclosed
US-7368467-B2 Calcium channel modulators 2-(alkyl or (hetero)arylalkylthio)-imidazoles and S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders WYETH (US) 2008-05-06 US disclosed
WO-2008042362-A1 ARYLAMINO-ARYLPROPANOLAMINE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-04-10 WO disclosed
US-20080070924-A1 Novel Formulations For Opioid-Based Treatments Of Pain Comprising 1-(1,2-Disubstituted Piperidinyl)-4-Substituted Piperazine Derivatives JANSSENS FRANS EDUARD 2008-03-20 US disclosed
US-20080070924-A1 Novel Formulations For Opioid-Based Treatments Of Pain Comprising 1-(1,2-Disubstituted Piperidinyl)-4-Substituted Piperazine Derivatives JANSSENS FRANS EDUARD 2008-03-20 US disclosed
US-20070191469-A1 Novel tetracyclic tetrahydrofuran derivatives JANSSEN-CILAG S.A. (ES) 2007-08-16 US disclosed
US-20070191469-A1 Novel tetracyclic tetrahydrofuran derivatives JANSSEN-CILAG S.A. (ES) 2007-08-16 US disclosed
WO-2007025751-A1 USE OF FUSED IMIDAZOLE DERIVATIVES TO MEDIATE CCR3 RELATED CONDITIONS NOVARTIS AG (CH) 2007-03-08 WO disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
EP-0292911-A2 Process for the preparation of pure nitro-aminobenzene-compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-30 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180194768-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 SMN1; SMN2 3460/4885ALDH1A1 1439/4885MEN1 3633/4885
US-20070191469-A1 Novel tetracyclic tetrahydrofuran derivatives HTR2C, HTR2A, HTR1A SMN1; SMN2 979/4885ALDH1A1 349/4885MEN1 3656/4885
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS MCL1, MKI67, MORF4L1 SMN1; SMN2 10/4885ALDH1A1 95/4885MEN1 2331/4885
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 SMN1; SMN2 3296/4885ALDH1A1 1111/4885MEN1 3889/4885
US-20190016723-A9 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 SMN1; SMN2 3454/4885ALDH1A1 1194/4885MEN1 3885/4885
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof IDE, SI, GPR119 SMN1; SMN2 3454/4885ALDH1A1 1194/4885MEN1 3885/4885
US-20080070924-A1 Novel Formulations For Opioid-Based Treatments Of Pain Comprising 1-(1,2-Disubstituted Piperidinyl)-4-Substituted Piperazine Derivatives OPRL1, OPRK1, OPRM1 SMN1; SMN2 1834/4885ALDH1A1 783/4885MEN1 4348/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.