SCHEMBL4967965

SCHEMBL4967965

N#Cc1ccc(CNCCc2c[nH]cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA9 Q16790 1/20 0.48
NOS1 P29475 5/20 0.44
NOS3 P29474 2/20 0.44
OPRM1 P35372 1/20 0.44
SCN8A Q9UQD0 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP19A1 P11511 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36

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 SCHEMBL7460700 0.99 CA12 (0.47) CA12CA1CA2CA4CA9
SCHEMBL6179255 0.81 CHRM2 (0.47) CA12CA1CA2CA4CA9
SCHEMBL6180475 0.81 L3MBTL1 (0.50) CA12CA1CA2CA4SCN8A
SCHEMBL4605920 0.81 GAA (0.53) KDM4EALDH1A1BCHE
SCHEMBL2787662 0.77 HRH3 (0.49) LOXL2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL17654953 0.77 EPHX2 (0.33) KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL31364603 0.75 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP2C19
SCHEMBL31364605 0.75 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP2C19
SCHEMBL29912750 0.75 LOXL2 (0.65) CA12CA1CA2CA4CA9
SCHEMBL7961162 0.74 TBXAS1 (0.44) ALDH1A1HRH3

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-1973882-A1 PIPERAZINE DERIVATIVES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2008-10-01 EP disclosed
WO-2007084498-A1 PIPERAZINE DERIVATIVES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2007-07-26 WO disclosed
EP-1140909-B1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORP (US) 2005-07-06 EP disclosed
US-20040087592-A1 Treatment of malaria with farnesyl protein transferase inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-05-06 US disclosed
US-6645966-B2 Reverse malaria drug resistance SCHERING CORPORATION 2003-11-11 US disclosed
US-20030134846-A1 Treatment of trypanosoma brucei with farnesyl protein transferase inhibitors SCHERING CORPORATION 2003-07-17 US disclosed
US-20030092705-A1 Treatment of malaria with farnesyl protein transferase inhibitors SCHERING CORPORATION 2003-05-15 US disclosed
WO-2002080895-A2 TREATMENT OF MALARIA WITH FARSENYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2002-10-17 WO disclosed
US-6432959-B1 ANTITUMOR AGENTS SCHERING CORPORATION 2002-08-13 US disclosed
WO-2002056884-A2 TREATMENT OF MALARIA WITH FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2002-07-25 WO disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
EP-0935464-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-08-18 EP disclosed
US-5925651-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-07-20 US disclosed
US-5922883-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-07-13 US disclosed
WO-1999018096-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-04-15 WO disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed
EP-0891335-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed
WO-1997036584-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1997036877-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 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 (3 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-20030134846-A1 Treatment of trypanosoma brucei with farnesyl protein transferase inhibitors FNTB, FNTA, SOAT1 CA12 4587/4885CA1 4644/4885CA2 4428/4885
US-20040087592-A1 Treatment of malaria with farnesyl protein transferase inhibitors FNTA, FNTB, SOAT1 CA12 4656/4885CA1 4650/4885CA2 4318/4885
US-20030092705-A1 Treatment of malaria with farnesyl protein transferase inhibitors FNTA, FNTB, SOAT1 CA12 4656/4885CA1 4650/4885CA2 4318/4885

“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.