SCHEMBL3498547

SCHEMBL3498547

N#Cc1ccc(Cc2cccn2Cc2ccc(-n3cc(Cl)ccc3=O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
IDH1 O75874 1/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FNTA P49354 4/20 0.36
FNTB P49356 4/20 0.36
PGGT1B P53609 2/20 0.36
VEGFA P15692 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
NRAS P01111 1/20 0.35
HRAS P01112 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL3499503 0.86 CYP11B1 (0.36) HDAC8HDAC6KDM4EPOLBTSHR
Hydrochloric Acid SCHEMBL5891930 0.85 SMO (0.36) HDAC8HDAC6KDM4EPOLBTSHR
SCHEMBL7189934 0.81 HSP90AA1 (0.42) TSHRFNTAFNTBPGGT1BCYP11B1
SCHEMBL3501971 0.72 SMO (0.39) HDAC8HDAC6IDH1KDM4EPOLB
SCHEMBL446009 0.72 CYP11B1 (0.55) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8009897 0.72 CYP11B1 (0.49) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8151756 0.70 CYP11B1 (0.50) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8156637 0.69 HSP90AA1 (0.40) EGLN1CYP11B1CYP11B2L3MBTL1
Hydrochloric Acid SCHEMBL8148674 0.69 HSP90AA1 (0.40) EGLN1CYP11B1CYP11B2L3MBTL1
SCHEMBL27944830 0.68 HTT (0.51) HDAC8HDAC6KDM4EPOLBSMN1; 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 27 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
WO-2010057028-A9 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-09-02 WO 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
US-6060038-A Radiolabeled farnesyl-protein transferase inhibitors MERCK & CO., INC. (US) 2000-05-09 US 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-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 HDAC8 512/4885HDAC6 90/4885IDH1 1673/4885
US-20100184803-A1 Treatment of Lysosomal Storage Diseases GAA, GBA1, MAN2B1 HDAC8 1264/4885HDAC6 376/4885IDH1 1345/4885
US-20050277629-A1 Methods for the treatment of synucleinopathies (Lansbury) SNCA, PARK7, NLN HDAC8 2573/4885HDAC6 330/4885IDH1 1528/4885
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR FNTA, FNTB, BDNF HDAC8 1563/4885HDAC6 888/4885IDH1 1715/4885
US-20050137207-A1 Method of treating cancer FNTA, GGT1, NTPCR HDAC8 1078/4885HDAC6 203/4885IDH1 1055/4885

“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.