Sugi Predict

Sugi Predict / Compounds / SCHEMBL1995097

SCHEMBL1995097

SCHEMBL1995097

Clc1ccc(CBr)c(I)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 5/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ LMNA P02545 3/20 0.35
▸ HTT P42858 3/20 0.35
▸ HIF1A Q16665 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SLC22A1 O15245 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSPD1 P10809 1/20 0.35
▸ HSPA5 P11021 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 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
SCHEMBL30968988 0.82 CYP3A4 (0.40) IDO1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL561187 0.82 CYP3A4 (0.40) IDO1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL31454441 0.79 IDO1 (0.41) IDO1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL4608241 0.79 IDO1 (0.41) IDO1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL30089455 0.78 IDO1 (0.44) IDO1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL384040 0.78 IDO1 (0.44) IDO1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL31454434 0.77 IDO1 (0.41) IDO1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL4280341 0.77 IDO1 (0.40) IDO1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL1197989 0.77 IDO1 (0.41) IDO1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL2997812 0.77 CYP2A6 (0.44) IDO1CYP3A4CYP2C9MAPK1CYP2C19

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
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, LLC 2016-09-22 — — US disclosed
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, LLC 2016-09-22 — — US disclosed
EP-2406240-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2015-12-23 — — EP disclosed
US-9212153-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2015-12-15 — — US disclosed
EP-2801570-A1 Inhibitors of beta-secretase Vitae Pharmaceuticals, Inc. (US) 2014-11-12 — — EP disclosed
US-20140200223-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2014-07-17 — — US disclosed
US-20140200223-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2014-07-17 — — US disclosed
US-8633212-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-01-21 — — US disclosed
US-8633212-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-01-21 — — US disclosed
US-8399681-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 — — US disclosed
US-7323570-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2008-01-29 — — US disclosed
EP-1874303-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2008-01-09 — — EP disclosed
US-7211595-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2007-05-01 — — US disclosed
US-20060264476-A1 Farnesyltransferase Inhibitors ABBVIE INC. 2006-11-23 — — US disclosed
WO-2006114313-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2006-11-02 — — WO disclosed
EP-1339695-B1 FARNESYLTRANSFERASE INHIBITORS ABBOTT LAB (US) 2006-04-19 — — EP disclosed
EP-1339695-A1 FARNESYLTRANSFERASE INHIBITORS Abbott Laboratories (US) 2003-09-03 — — EP disclosed
US-20030087940-A1 Farnesyltransferase inhibitors ABBVIE INC. 2003-05-08 — — US disclosed
WO-2002074747-A1 FARNESYLTRANSFERASE INHIBITORS ABBOTT LABORATORIES (US) 2002-09-26 — — WO disclosed
US-20020115640-A1 Such as 4-(((6-chloro-2-(3-chlorophenyl)-3-pyridinyl) methoxy)(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile; anticancer agents ABBOTT LABORATORIES 2002-08-22 — — US 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-20140200223-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 IDO1 4345/4885CYP3A4 2262/4885CYP2C9 2231/4885
US-20020115640-A1 Such as 4-(((6-chloro-2-(3-chlorophenyl)-3-pyridinyl) methoxy)(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile; anticancer agents FNTB, FNTA, ACAT2 IDO1 3576/4885CYP3A4 364/4885CYP2C9 1815/4885
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 IDO1 4345/4885CYP3A4 2262/4885CYP2C9 2231/4885
US-20060264476-A1 Farnesyltransferase Inhibitors FNTB, FNTA, FDPS IDO1 3812/4885CYP3A4 618/4885CYP2C9 874/4885
US-20030087940-A1 Farnesyltransferase inhibitors FNTB, FNTA, FDPS IDO1 3071/4885CYP3A4 607/4885CYP2C9 803/4885

“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.