SCHEMBL1340168

SCHEMBL1340168

O=C1COc2[c]cccc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.40
PARP1 P09874 3/20 0.37
AHR P35869 1/20 0.36
PDK2 Q15119 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
NPC1 O15118 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
MAPT P10636 3/20 0.34
GAA P10253 1/20 0.34
NR3C2 P08235 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
CCNT1 O60563 1/20 0.33

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
SCHEMBL1713375 0.72 ALOX5 (0.42) KMT2AMAPTGAA
SCHEMBL1398550 0.71 MMP12 (0.40) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL88746 0.69 MMP12 (0.58) MMP12PARP1AHRPDK2ALDH1A1
SCHEMBL4087192 0.69
SCHEMBL14931707 0.69 DRD2 (0.43)
SCHEMBL8645699 0.68 MAOA (0.50) MMP12PARP1AHRPDK2ALDH1A1
Hydrochloric Acid SCHEMBL6518631 0.68 MMP12 (0.56) MMP12PARP1AHRPDK2ALDH1A1
Hydrochloric Acid SCHEMBL30293243 0.68 MMP12 (0.56) MMP12PARP1AHRPDK2ALDH1A1
SCHEMBL791635 0.68 AHR (0.48) AHRPDK2ALDH1A1KMT2ANPC1
SCHEMBL2090031 0.67 NPC1 (0.50) AHRPDK2CYP11B1CYP11B2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114127062-A Thiadiazolyl derivatives as inhibitors of DNA polymerase Theta 伊迪亚生物科学有限公司 2022-03-01 CN claimed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US claimed
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-02-13 US claimed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US claimed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 US claimed
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds Epizyme, Inc. (US) 2017-08-31 US claimed
EP-3193600-A1 SMYD INHIBITORS Epizyme, Inc. (US) 2017-07-26 EP claimed
EP-3193609-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS Epizyme, Inc. (US) 2017-07-26 EP claimed
WO-2016040505-A1 SMYD INHIBITORS Epizyme, Inc. (US) 2016-03-17 WO claimed
WO-2016040508-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS Epizyme, Inc. (US) 2016-03-17 WO claimed
US-6660732-B2 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-09 US claimed
US-6608052-B2 An mono or polycyclic aromatic or heteroaromatic carbamate or urea or thiacarbamoyl derivatives; inhibit production of cytokines involved in inflammatory processes BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 US claimed
US-20030060455-A1 Methods of treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-03-27 US claimed
WO-2003022273-A1 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-03-20 WO claimed
JP-2002539198-A 2002-11-19 JP claimed
WO-2002083642-A1 COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-10-24 WO claimed
US-20020055507-A1 Compounds useful as anti-inflammatory agents BETAGERI RAJASHEHAR (US) 2002-05-09 US claimed
US-20020032195-A1 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-14 US claimed
EP-1165516-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-01-02 EP claimed
WO-2000055139-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed

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

For each of this compound's patents that has machine-readable text (8 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-20020032195-A1 Compounds useful as anti-inflammatory agents MPO, EPX, PTGES MMP12 278/4885PARP1 2002/4885AHR 92/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 MMP12 4024/4885PARP1 4579/4885AHR 2465/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 MMP12 4029/4885PARP1 4583/4885AHR 2472/4885
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds SMYD3, SMYD2, SMURF2 MMP12 4455/4885PARP1 3438/4885AHR 3247/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 MMP12 4356/4885PARP1 4650/4885AHR 1942/4885
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SMURF2 MMP12 4455/4885PARP1 3438/4885AHR 3247/4885
US-20030060455-A1 Methods of treating cytokine mediated diseases TNF, IL2, IL1B MMP12 71/4885PARP1 2664/4885AHR 523/4885
US-20020055507-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO MMP12 133/4885PARP1 2776/4885AHR 206/4885

“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.