SCHEMBL3853426

SCHEMBL3853426

O=C1Cc2cccc(Cl)c2N=C1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.39
ACHE P22303 1/20 0.37
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
HPN P05981 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX5 P09917 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
PTGS1 P23219 1/20 0.34
PDE4A P27815 1/20 0.34
KDR P35968 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4145325 0.71 NOS3 (0.42) ALDH1A1TSHRMAPTMEN1USP2
SCHEMBL20589092 0.67 AHR (0.47) AHRALDH1A1TSHRMAPTMEN1
SCHEMBL3855331 0.66 PDE3B (0.43) AHRACHEALDH1A1TSHRCYP3A4
SCHEMBL30122620 0.60 ACHE (0.38) ACHEALDH1A1HTR5A
SCHEMBL7103871 0.59 TSHR (0.57) AHRALDH1A1TSHRMAPTMEN1
SCHEMBL30253262 0.58 CYP1A2 (0.52) AHRALDH1A1MEN1KMT2ATDP1
SCHEMBL11336934 0.58 ACHE (0.36) AHRACHETSHRHTR5A
SCHEMBL9672282 0.58 CYP1A2 (0.52) AHRALDH1A1MEN1KMT2ATDP1
SCHEMBL568118 0.58 AHR (0.41) AHRMAPTCES1AKR1B1NOTUM
SCHEMBL14441607 0.57 CYP1A2 (0.67) AHRALDH1A1TSHRKDM4EHPGD

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 AHR 3613/4885ACHE 780/4885ALDH1A1 3937/4885

“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.