SCHEMBL3501968

SCHEMBL3501968

N#Cc1ccc(C(Cc2ccc(-n3ccccc3=O)nc2)c2ccc[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.36
EP300 Q09472 2/20 0.33
EGLN1 Q9GZT9 3/20 0.32
SMO Q99835 2/20 0.32
PANK3 Q9H999 1/20 0.32

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
SCHEMBL3499500 0.86 CYP19A1 (0.33) CYP19A1EP300EGLN1SMOPANK3
SCHEMBL8151901 0.86 CYP19A1 (0.34) CYP19A1EP300EGLN1SMOPANK3
Hydrochloric Acid SCHEMBL5891928 0.85 S1PR1 (0.33) CYP19A1EP300EGLN1SMOPANK3
SCHEMBL8149818 0.74 EGLN1 (0.35) CYP19A1EGLN1PANK3
SCHEMBL8009894 0.73 CYP19A1 (0.45) CYP19A1EGLN1
SCHEMBL3498549 0.73 DAO (0.32) CYP19A1
SCHEMBL8156812 0.73 CYP19A1 (0.31) CYP19A1EGLN1PANK3
Hydrochloric Acid SCHEMBL8150165 0.72 CYP19A1 (0.31) CYP19A1EGLN1
SCHEMBL8157295 0.72 EGLN1 (0.33) CYP19A1EGLN1PANK3
SCHEMBL8156634 0.72 S1PR1 (0.33) CYP19A1EGLN1PANK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744751-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-24 EP claimed
US-6989383-B1 Method of treating cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-01-24 US claimed
US-20050277629-A1 Methods for the treatment of synucleinopathies (Lansbury) THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-12-15 US claimed
WO-2005089502-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO claimed
US-20050137207-A1 Method of treating cancer ROSEN NEAL (US) 2005-06-23 US claimed
US-20030220241-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2003-11-27 US claimed
WO-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 WO claimed
WO-2000025789-A1 A METHOD OF TREATING ENDOMETRIOSIS MERCK & CO., INC. (US) 2000-05-11 WO claimed
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2011-12-01 US disclosed
US-20100184803-A1 Treatment of Lysosomal Storage Diseases LINK MEDICINE CORPORATION (MA) 2010-07-22 US disclosed
US-20070293539-A1 Methods for the treatment of synucleinopathies NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-12-20 US disclosed
EP-1744751-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-24 EP disclosed
US-6989383-B1 Method of treating cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-01-24 US disclosed
US-20050277629-A1 Methods for the treatment of synucleinopathies (Lansbury) THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-12-15 US disclosed
WO-2000025789-A1 A METHOD OF TREATING ENDOMETRIOSIS MERCK & CO., INC. (US) 2000-05-11 WO disclosed
US-6060038-A Radiolabeled farnesyl-protein transferase inhibitors MERCK & CO., INC. (US) 2000-05-09 US disclosed
EP-0986302-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-03-22 EP disclosed
EP-0981728-A2 RADIOLABELED FARNESYL-PROTEIN TRANSFERASE INHIBITORS Merck & Co., Inc. (US) 2000-03-01 EP disclosed
WO-1999000654-A2 RADIOLABELED FARNESYL-PROTEIN TRANSFERASE INHIBITORS MERCK & CO., INC. (US) 1999-01-07 WO disclosed
WO-1998054966-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-12-10 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 (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-20030220241-A1 Method of treating cancer ACP3, PSAT1, LCAT CYP19A1 368/4885EP300 487/4885EGLN1 2916/4885
US-20100184803-A1 Treatment of Lysosomal Storage Diseases GAA, GBA1, MAN2B1 CYP19A1 4227/4885EP300 912/4885EGLN1 3539/4885
US-20070293539-A1 Methods for the treatment of synucleinopathies SNCA, PARK7, NLN CYP19A1 4832/4885EP300 3788/4885EGLN1 4420/4885
US-20050277629-A1 Methods for the treatment of synucleinopathies (Lansbury) SNCA, PARK7, NLN CYP19A1 4096/4885EP300 3508/4885EGLN1 4206/4885
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR FNTA, FNTB, BDNF CYP19A1 2681/4885EP300 1795/4885EGLN1 4837/4885
US-20050137207-A1 Method of treating cancer FNTA, GGT1, NTPCR CYP19A1 764/4885EP300 354/4885EGLN1 2864/4885

“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.