SCHEMBL1444597

SCHEMBL1444597

Clc1ccc(C[Zn]Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.48
LMNA P02545 1/20 0.44
CYP2A6 P11509 1/20 0.44
TAAR1 Q96RJ0 2/20 0.44
AGXT P21549 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
CHRNA4 P43681 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAOB P27338 1/20 0.38
CHRM2 P08172 1/20 0.37
AOC3 Q16853 1/20 0.37

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
SCHEMBL1980351 0.74 CYP2A6 (0.47) IDO1CYP2A6TAAR1HTR2AKDM4E
SCHEMBL621963 0.74 IDO1 (0.50) IDO1LMNACYP2A6TAAR1AGXT
SCHEMBL4924208 0.72 IDO1 (0.48) IDO1LMNACYP2A6TAAR1AGXT
SCHEMBL158407 0.72 TP53 (0.46) IDO1LMNACYP2A6TAAR1ALDH1A1
SCHEMBL5201 0.72 IDO1 (0.48) IDO1LMNATAAR1AGXTMAOB
SCHEMBL4176273 0.72 CYP3A4 (0.42) IDO1
SCHEMBL17596168 0.71
SCHEMBL1766 0.71
SCHEMBL12028140 0.71
SCHEMBL1301622 0.70 PNMT (0.56) IDO1TAAR1AGXTMAOBCHRM2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368107-B Fused heterocyclic compounds as S1P modulators 艾伯维公司 2021-11-26 CN disclosed
US-10556907-B2 Fused heterocyclic compounds as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-11 US disclosed
EP-3341369-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Inc. (US) 2018-07-04 EP disclosed
WO-2017036978-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS ABBVIE INC. (US) 2017-03-09 WO disclosed
US-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-02 US disclosed
US-20140288127-A1 Novel Alkene Oxindole Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2014-09-25 US disclosed
US-8778973-B2 Alkene oxindole derivatives HOFFMANN-LAROCHE INC. (US) 2014-07-15 US disclosed
US-20130131114-A1 NOVEL ALKENE OXINDOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
EP-2480530-A1 ALKENE OXINDOLE DERIVATIVES AND THEIR USES TO TREAT OBESITY, DIABETES AND HYPERLIPIDEMIA F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011033099-A1 ALKENE OXINDOLE DERIVATIVES AND THEIR USES TO TREAT OBESITY, DIABETES AND HYPERLIPIDEMIA F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 WO disclosed
US-20110071195-A1 NOVEL ALKENE OXINDOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-03-24 US disclosed
WO-2011032320-A1 NOVEL ALKENE OXINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 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-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS S1PR1, S1PR2, S1PR3 IDO1 2922/4885LMNA 2307/4885CYP2A6 3489/4885
US-20140288127-A1 Novel Alkene Oxindole Derivatives PRKAB1, PRKAR2A, PRKAB2 IDO1 3332/4885LMNA 3508/4885CYP2A6 2430/4885
US-20110071195-A1 NOVEL ALKENE OXINDOLE DERIVATIVES PRKAB1, PRKAR2A, PRKAB2 IDO1 2966/4885LMNA 3622/4885CYP2A6 1956/4885
US-20130131114-A1 NOVEL ALKENE OXINDOLE DERIVATIVES PRKAB1, PRKAR2A, PRKAB2 IDO1 3332/4885LMNA 3508/4885CYP2A6 2430/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 IDO1 2922/4885LMNA 2307/4885CYP2A6 3489/4885

“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.