SCHEMBL5892035

SCHEMBL5892035

CCCCN(c1ccc(Sc2ccccc2)cc1)C(Cc1ccc(C#N)cc1)c1cnc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.43
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HRH3 Q9Y5N1 1/20 0.35
CPA1 P15085 1/20 0.33
FNTA P49354 3/20 0.33
PGGT1B P53609 2/20 0.33
SLC6A4 P31645 1/20 0.32
FNTB P49356 1/20 0.32
KCNH2 Q12809 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31

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
Hydrochloric Acid SCHEMBL8368261 0.99 CYP19A1 (0.42) CYP19A1MAOAMAOBHRH3CPA1
SCHEMBL5891402 0.83 MAOA (0.38) MAOAMAOBFNTASLC6A4FNTB
SCHEMBL5891921 0.75 FNTA (0.56) CYP19A1FNTAPGGT1B
SCHEMBL3500035 0.75 FNTA (0.47) CYP19A1HRH3FNTAPGGT1B
Hydrochloric Acid SCHEMBL8541208 0.74 FNTA (0.55) CYP19A1FNTAPGGT1B
Hydrochloric Acid SCHEMBL8368377 0.74 FNTA (0.46) CYP19A1HRH3FNTAPGGT1B
SCHEMBL8506342 0.72 CYP19A1 (0.54) CYP19A1HRH3CPA1FNTAPGGT1B
Hydrochloric Acid SCHEMBL8505330 0.71 CYP19A1 (0.53) CYP19A1HRH3CPA1FNTAPGGT1B
SCHEMBL5891785 0.69 LTB4R2 (0.30) LTB4R2
Hydrochloric Acid SCHEMBL8368376 0.68 LTB4R2 (0.30) LTB4R2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989383-B1 Method of treating cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-01-24 US claimed
US-20050137207-A1 Method of treating cancer ROSEN NEAL (US) 2005-06-23 US claimed
JP-2001524079-A 2001-11-27 JP claimed
EP-0973396-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP claimed
EP-0986302-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-03-22 EP claimed
EP-0973396-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-01-26 EP claimed
EP-0841919-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-24 EP claimed
WO-1998054966-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-12-10 WO claimed
WO-1998044797-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-10-15 WO claimed
EP-0841919-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-05-20 EP claimed
WO-1996037204-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-11-28 WO claimed
US-20050137207-A1 Method of treating cancer ROSEN NEAL (US) 2005-06-23 US disclosed
EP-0841919-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-24 EP disclosed
EP-0841919-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-05-20 EP disclosed
WO-1996037204-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-11-28 WO 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-20050137207-A1 Method of treating cancer FNTA, GGT1, NTPCR CYP19A1 764/4885MAOA 2291/4885MAOB 2413/4885

“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.