SCHEMBL445626

SCHEMBL445626

CCCC[C@H]1CN(c2cccc(C)c2C)C(=O)CN1C(Cc1ccc(C#N)cc1)c1cnc[nH]1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.59
FNTB P49356 13/20 0.59
PGGT1B P53609 2/20 0.59
CYP19A1 P11511 2/20 0.35
GRM2 Q14416 1/20 0.32
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1B P35368 2/20 0.31
KCNH2 Q12809 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 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
SCHEMBL3687066 1.00 FNTA (0.59) FNTAFNTBPGGT1BCYP19A1GRM2
Trifluoroacetic Acid SCHEMBL8147178 0.94 FNTA (0.54) FNTAFNTBPGGT1BCYP19A1
SCHEMBL445939 0.94 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1GRM2
SCHEMBL5131468 0.94 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1GRM2
Hydrochloric Acid SCHEMBL8541088 0.93 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1GRM2
Hydrochloric Acid SCHEMBL8160943 0.93 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1GRM2
SCHEMBL3499540 0.90 FNTA (0.48) FNTAFNTBPGGT1BCYP19A1ADRA2A
SCHEMBL3682663 0.90 FNTA (0.48) FNTAFNTBPGGT1BCYP19A1ADRA2A
SCHEMBL3684726 0.89 FNTA (0.51) FNTAFNTBPGGT1BGRM2
SCHEMBL3501112 0.89 FNTA (0.56) FNTAFNTBPGGT1BGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. 2014-10-09 US claimed
US-8779171-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2014-07-15 US claimed
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2013-06-06 US claimed
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
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-0906099-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-04-07 EP claimed
US-5856326-A ANTITUMOR, ANTICANCER AGENTS MERCK & CO., INC. (US) 1999-01-05 US 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-0820445-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-28 EP claimed
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 WO claimed
WO-1996030343-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO claimed

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 FNTA 4/4885FNTB 19/4885PGGT1B 274/4885
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 FNTA 3317/4885FNTB 1753/4885PGGT1B 715/4885
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 FNTA 3317/4885FNTB 1753/4885PGGT1B 715/4885
US-20050277629-A1 Methods for the treatment of synucleinopathies (Lansbury) SNCA, PARK7, NLN FNTA 12/4885FNTB 44/4885PGGT1B 1996/4885
US-20050137207-A1 Method of treating cancer FNTA, GGT1, NTPCR FNTA 1/4885FNTB 12/4885PGGT1B 258/4885

“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.