SCHEMBL3855334

SCHEMBL3855334

[O-][n+]1c(O)ccc2cc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.39
ATM Q13315 1/20 0.38
F11 P03951 1/20 0.35
HSD17B10 Q99714 4/20 0.34
TSHR P16473 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
DAO P14920 2/20 0.33
HPGD P15428 3/20 0.32
ALOX15 P16050 3/20 0.32
ALOX12 P18054 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32

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
SCHEMBL743247 0.77 MEN1 (0.41) ATMHSD17B10TSHRALDH1A1CYP3A4
SCHEMBL9736952 0.77 CYP2A6 (0.39) CYP2A6ATMF11HSD17B10ALDH1A1
SCHEMBL745015 0.72 TSHR (0.43) HSD17B10TSHRALDH1A1CYP3A4TDP1
SCHEMBL4145326 0.71 ATM (0.54) ATMMEN1KMT2APOLBCASP6
SCHEMBL9875297 0.69 NR4A2 (0.35) ATMHSD17B10TSHRALDH1A1CYP3A4
SCHEMBL6088423 0.67 ALDH1A1 (0.36) CYP2A6ATMHSD17B10TSHRALDH1A1
SCHEMBL1826895 0.67 CYP2A6 (0.45) CYP2A6ATMALDH1A1MEN1KMT2A
SCHEMBL865990 0.65 CYP2A6 (0.77) CYP2A6F11HSD17B10TSHRALDH1A1
SCHEMBL29644361 0.65 CYP2A6 (0.77) CYP2A6F11HSD17B10TSHRALDH1A1
SCHEMBL6333940 0.64 CYP2A6 (0.41) CYP2A6F11TSHRALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576098-B2 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-18 US disclosed
EP-1828152-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
EP-1828152-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA Bristol-Myers Squibb Company (US) 2007-09-05 EP disclosed
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
WO-2006062972-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-15 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 (1 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-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa TFPI, F7, HABP2 CYP2A6 586/4885ATM 1744/4885F11 5/4885

“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.