SCHEMBL942460

SCHEMBL942460

COc1cc(C)[n+]([O-])c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40
MAT2A P31153 4/20 0.37
HTT P42858 1/20 0.37
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
BCL2 P10415 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
ACHE P22303 2/20 0.30

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
SCHEMBL23555970 0.84 ALDH1A1 (0.50) ALDH1A1KDM4ELMNASMN1; SMN2TP53
SCHEMBL15286828 0.79 NQO1 (0.37) ALDH1A1KDM4ELMNATP53HTT
SCHEMBL7235768 0.75 ALDH1A1 (0.40) ALDH1A1KDM4ELMNASMN1; SMN2TP53
SCHEMBL26731120 0.70 ALDH1A1 (0.50) ALDH1A1KDM4ECYP3A4CYP1A1CYP1B1
SCHEMBL8024477 0.67 ALDH1A1 (0.53) ALDH1A1KDM4ECYP3A4CYP1A1CYP1B1
SCHEMBL26986441 0.67 BCL2 (0.40) ALDH1A1KDM4ECYP3A4TSHRBCL2
SCHEMBL9820056 0.66 ALDH1A1 (0.50) ALDH1A1KDM4ECYP3A4BCL2CYP1A1
Perchlorate SCHEMBL7257394 0.65 ALDH1A1 (0.43) ALDH1A1KDM4ELMNASMN1; SMN2HTT
SCHEMBL898962 0.64 TSHR (0.52) ALDH1A1KDM4ELMNASMN1; SMN2TP53
SCHEMBL4297601 0.64 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP1A1CYP1B1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2831042-B1 HETEROARYL COMPOUNDS WITH A-CYCLIC BRIDGING UNIT INTERVET INT BV (NL) 2019-07-31 EP disclosed
US-9321724-B2 Heteroaryl compounds with A-cyclic bridging unit INTERVET INC. (US) 2016-04-26 US disclosed
US-20150057279-A1 HETEROARYL COMPOUNDS WITH A-CYCLIC BRIDGING UNIT INTERVET INC. 2015-02-26 US disclosed
EP-2831042-A1 HETEROARYL COMPOUNDS WITH A-CYCLIC BRIDGING UNIT Intervet International B.V. (NL) 2015-02-04 EP disclosed
WO-2013144179-A1 HETEROARYL COMPOUNDS WITH A-CYCLIC BRIDGING UNIT INTERVET INTERNATIONAL B.V. (NL) 2013-10-03 WO disclosed
US-8524705-B2 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydro-indolizin-3-yl)-acetamide derivatives and related compounds as antifungal agents F2G LIMITED BRITISH BODY CORPORATE (GB) 2013-09-03 US disclosed
US-20110009390-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2011-01-13 US disclosed
EP-2173749-B1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LTD (GB) 2011-01-12 EP disclosed
EP-2173749-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G Limited (GB) 2010-04-14 EP disclosed
WO-2008145963-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2008-12-04 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 (2 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-20150057279-A1 HETEROARYL COMPOUNDS WITH A-CYCLIC BRIDGING UNIT AADAC, PIGS, MTCL3 ALDH1A1 721/4885KDM4E 3061/4885LMNA 1595/4885
US-20110009390-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS NAT1, FOXM1, CYP51A1 ALDH1A1 124/4885KDM4E 2650/4885LMNA 2698/4885

“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.