SCHEMBL3498549

SCHEMBL3498549

N#Cc1ccc(C(Cc2ccc(-n3cc(Cl)ccc3=O)cc2)c2ccc[nH]2)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.32
ABCB1 P08183 1/20 0.32
CYP19A1 P11511 4/20 0.31
CCR2 P41597 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
SLC6A9 P48067 1/20 0.30
SLC6A5 Q9Y345 1/20 0.30
MDM2 Q00987 1/20 0.30

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) CYP19A1
Hydrochloric Acid SCHEMBL5891928 0.85 S1PR1 (0.33) CYP19A1
SCHEMBL7189941 0.83 CYP19A1 (0.33) ABCB1CYP19A1CNR1
SCHEMBL3501968 0.73 CYP19A1 (0.36) CYP19A1
SCHEMBL8009894 0.73 CYP19A1 (0.45) CYP19A1
SCHEMBL8156634 0.71 S1PR1 (0.33) CYP19A1
Hydrochloric Acid SCHEMBL8148673 0.70 S1PR1 (0.33) CYP19A1
SCHEMBL3498547 0.68 HDAC8 (0.39) MDM2
SCHEMBL7189934 0.65 HSP90AA1 (0.42) CYP19A1
SCHEMBL10059742 0.63 ALDH1A1 (0.60)

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 28 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
EP-0986302-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-03-22 EP claimed
WO-1998054966-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-12-10 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
WO-2010057028-A2 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-05-20 WO disclosed
EP-2155197-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES Link Medicine Corporation (US) 2010-02-24 EP disclosed
WO-2008112525-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES LINK MEDICINE CORPORATION (US) 2008-09-18 WO disclosed
EP-0981728-A2 RADIOLABELED FARNESYL-PROTEIN TRANSFERASE INHIBITORS Merck & Co., Inc. (US) 2000-03-01 EP disclosed
EP-0973396-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-01-26 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
WO-1998044797-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-10-15 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 (5 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 DAO 2749/4885ABCB1 1650/4885CYP19A1 368/4885
US-20100184803-A1 Treatment of Lysosomal Storage Diseases GAA, GBA1, MAN2B1 DAO 2889/4885ABCB1 415/4885CYP19A1 4227/4885
US-20050277629-A1 Methods for the treatment of synucleinopathies (Lansbury) SNCA, PARK7, NLN DAO 1447/4885ABCB1 2439/4885CYP19A1 4096/4885
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR FNTA, FNTB, BDNF DAO 1047/4885ABCB1 1995/4885CYP19A1 2681/4885
US-20050137207-A1 Method of treating cancer FNTA, GGT1, NTPCR DAO 2747/4885ABCB1 1149/4885CYP19A1 764/4885

“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.