SCHEMBL248601

SCHEMBL248601

CC(C)(C)NC(=O)Oc1ccccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 7/20 0.42
PTGS1 P23219 2/20 0.42
ADRA2B P18089 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD17B10 Q99714 2/20 0.41
CFTR P13569 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PGR P06401 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
ACHE P22303 1/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
ELANE P08246 1/20 0.38
CTSD P07339 1/20 0.38
EGFR P00533 1/20 0.37

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
SCHEMBL27608342 0.85 ACHE (0.40) SMN1; SMN2TSHRALDH1A1PTGS1HSD17B10
SCHEMBL29286690 0.84 HTR1A (0.36) SMN1; SMN2ALDH1A1PTGS1HSD17B10CFTR
SCHEMBL27611466 0.82 HTR1A (0.39) SMN1; SMN2ALDH1A1PTGS1HSD17B10KDM4E
SCHEMBL27747046 0.81 NCEH1 (0.40) SMN1; SMN2ALDH1A1PTGS1HSD17B10KDM4E
SCHEMBL27641592 0.81 HDAC1 (0.38) ALDH1A1LMNAHTTL3MBTL1
SCHEMBL27797978 0.81 KEAP1 (0.40) SMN1; SMN2ALDH1A1KDM4EACHELMNA
SCHEMBL25295423 0.81 ATM (0.42) ALDH1A1PTGS1TDP1HSD17B10PGR
SCHEMBL27529112 0.81 MAPT (0.45) ALDH1A1HSD17B10KDM4EGAAHPGD
SCHEMBL29728939 0.80 ALDH1A1 (0.59) SMN1; SMN2TSHRALDH1A1PTGS1ADRA2B
SCHEMBL11772785 0.80 ALDH1A1 (0.59) SMN1; SMN2TSHRALDH1A1PTGS1ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 US disclosed
CN-104761507-B Amido quinazoline derivatives and its application in drug 广东东阳光药业有限公司 2019-11-12 CN disclosed
CN-105121415-B Hdac inhibitor 生物马林药物股份有限公司 2018-10-12 CN disclosed
CN-108290848-A Super excellent oxidative catalyst based on macrocyclic compound 卡内基美浓大学 2018-07-17 CN disclosed
CN-107922342-A Histone deacetylase inhibitors 生物马林药物股份有限公司 2018-04-17 CN disclosed
CN-106458856-A Inhibitors of histone lysine specific demethylase (lsd1) and histone deacetylases (hdacs) 约翰霍普金斯大学 2017-02-22 CN disclosed
US-9266822-B2 Solid forms of tacedinaline THE BROAD INSTITUTE, INC. (US) 2016-02-23 US disclosed
CN-105228609-A New transcription factor regulator CHEN LIN 2016-01-06 CN disclosed
CN-105188371-A Erk inhibitors and uses thereof CELGENE AVILOMICS RES INC 2015-12-23 CN disclosed
CN-105121415-A Hdac inhibitors BIOMARIN PHARM INC 2015-12-02 CN disclosed
CN-1764648-A Hydroxamic acid derivatives as inhibitors of Histone Deacetylase (HDAC) FUJISAWA PHARMACEUTICAL CO (JP) 2006-04-26 CN disclosed
CN-1747933-A Novel monoacetyl o-phenylenediamine derivatives HOFFMANN LA ROCHE (CH) 2006-03-15 CN disclosed
CN-1723207-A Histone deacetylase inhibitors METHYLGENE INC (CA) 2006-01-18 CN disclosed
CN-1705635-A Inhibitors of histone deacetylase METHYLGENE INC (CA) 2005-12-07 CN disclosed
CN-1199954-C Benzodiazepine derivatives HOFFMANN LA ROCHE (CH) 2005-05-04 CN disclosed
CN-1195522-C Benzodiazepine derivatives usable as parental metabolic glutamate receptor antagonist HOFFMANN LA ROCHE (CH) 2005-04-06 CN disclosed
CN-1578663-A Histone deacetylase inhibitors METHYLGENE INC (CA) 2005-02-09 CN disclosed
CN-1535266-A Dihydro-benzo [b][1,4] diazepin-2-one derivatives as mglur 2 antagonists II - 2004-10-06 CN disclosed
CN-1379764-A Benzodiazepine derivatives HOFFMANN LA ROCHE (CH) 2002-11-13 CN disclosed
CN-1379765-A Benzodiazepine derivatives usable as parental metabolic glutamate receptor antagonist HOFFMANN LA ROCHE (CH) 2002-11-13 CN 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 (1 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-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS SPPL2A, SPPL2B, BACE1 SMN1; SMN2 2626/4885TSHR 4010/4885ALDH1A1 3565/4885

“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.