SCHEMBL1817688

SCHEMBL1817688

CCc1cccc(NC(C)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.64
POLB P06746 1/20 0.64
NR4A1 P22736 1/20 0.64
MAPT P10636 3/20 0.62
SMN1; SMN2 Q16637 4/20 0.60
HDAC3 O15379 2/20 0.60
HDAC4 P56524 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
HDAC5 Q9UQL6 2/20 0.60
HPGD P15428 1/20 0.60
MAPK1 P28482 1/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60

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
SCHEMBL12986554 0.91 ALDH1A1 (0.71) RAB9APOLBNR4A1MAPTSMN1; SMN2
SCHEMBL10558429 0.91 SMN1; SMN2 (0.56) RAB9APOLBNR4A1MAPTSMN1; SMN2
SCHEMBL13368508 0.90 CYP17A1 (0.58) RAB9APOLBNR4A1MAPTSMN1; SMN2
SCHEMBL10555543 0.88 MAPT (0.57) RAB9APOLBNR4A1MAPTSMN1; SMN2
SCHEMBL4319038 0.87 MAPT (0.64) RAB9APOLBMAPTSMN1; SMN2HDAC3
SCHEMBL8996654 0.87 MAPT (0.64) RAB9AMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL1696515 0.86 AOC3 (0.62) RAB9APOLBNR4A1MAPTMEN1
SCHEMBL10551251 0.85 MAPT (0.55) RAB9APOLBNR4A1MAPTSMN1; SMN2
SCHEMBL10551126 0.85 MAPT (0.55) RAB9APOLBNR4A1MAPTSMN1; SMN2
SCHEMBL10559327 0.85 MAPT (0.51) RAB9APOLBNR4A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118185381-A Marek pen ink and preparation method thereof 深圳千岸科技股份有限公司 2024-06-14 CN claimed
US-6903090-B2 Such as 10-(2-ethoxyphenyl)-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole; for treatment of anxiety, depression, schizophrenia, epilepsy, migraine, Alzheimers disease, sleep disorders, obesity, stress related diseases, and/or drug withdrawal PFIZER (US) 2005-06-07 US claimed
US-6828314-B2 Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity PFIZER 2004-12-07 US claimed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US claimed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US claimed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US claimed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US claimed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
CN-118185381-A Marek pen ink and preparation method thereof 深圳千岸科技股份有限公司 2024-06-14 CN disclosed
US-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS VERNALIS (R&D) LTD (GB) 2024-05-09 US disclosed
EP-4360710-A2 1,3-DI-OXO-INDENE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS AN ANTIVIRAL, ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2024-05-01 EP disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
WO-2001032671-A1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2001-05-10 WO disclosed
US-5807883-A GASTROINTESTINAL DISORDERS; PANCREATITIS TANABE SEIYAKU CO., LTD. (JP) 1998-09-15 US disclosed
CN-1136310-A 2-oxoindoline derivatives TANABE SEIYAKU CO (JP) 1996-11-20 CN disclosed
EP-0731091-A1 2-OXOINDOLINE DERIVATIVE TANABE SEIYAKU CO., LTD. (JP) 1996-09-11 EP disclosed
EP-0593251-A1 Process for the catalytic debromination of halogenated monocyclic aromatic compounds HOECHST CELANESE CORPORATION (US) 1994-04-20 EP disclosed
US-4766242-A Synthesis of substituted aryl sulfides HOECHST CELANESE CORPORATION (US) 1988-08-23 US 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 (6 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-20020107278-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E RAB9A 698/4885POLB 4371/4885NR4A1 329/4885
US-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BAX, BCL2A1 RAB9A 2820/4885POLB 2216/4885NR4A1 1276/4885
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 RAB9A 3671/4885POLB 22/4885NR4A1 1526/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 RAB9A 751/4885POLB 4160/4885NR4A1 280/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E RAB9A 698/4885POLB 4371/4885NR4A1 329/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 RAB9A 751/4885POLB 4160/4885NR4A1 280/4885

“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.