SCHEMBL3873319

SCHEMBL3873319

CCc1cc(Br)cc2c(C)coc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ TSHR P16473 3/20 0.42
▸ HSD17B10 Q99714 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ PTPN1 P18031 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KCNA3 P22001 6/20 0.35
▸ HPGD P15428 2/20 0.34
▸ KCNA2 P16389 1/20 0.33
▸ KCNA1 Q09470 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ NQO1 P15559 1/20 0.32
▸ POR P16435 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
SCHEMBL13714431 0.76 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRHSD17B10POLB
SCHEMBL5519920 0.76 KDM4E (0.40) ALDH1A1KDM4ETSHRHSD17B10POLB
SCHEMBL13725473 0.74 KCNA3 (0.39) ALDH1A1KDM4ETSHRHSD17B10PTPN1
SCHEMBL16345128 0.74 KCNA3 (0.38) ALDH1A1KDM4ETSHRHSD17B10POLB
SCHEMBL18325951 0.70 PTPN1 (0.34) ALDH1A1KDM4ETSHRPOLBPTPN1
SCHEMBL17873619 0.69 GABRA1 (0.55) ALDH1A1KDM4ETSHRPOLBHPGD
SCHEMBL23218838 0.68 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRMAPK1MAPT
SCHEMBL29853260 0.68 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRMAPK1MAPT
SCHEMBL23229000 0.68 KCNA2 (0.37) KCNA2KCNA1
SCHEMBL11539348 0.68 PTPN1 (0.61) ALDH1A1KDM4ETSHRPOLBPTPN1

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 13 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
US-7273886-B2 For therapy and prophylaxis of clotting disorders; useful for inhibiting serine protease enzymes, such as TF/factor VIIa, factor Xa, thrombin and kallikrein GENENTECH, INC. (US) 2007-09-25 — — US disclosed
US-7273886-B2 For therapy and prophylaxis of clotting disorders; useful for inhibiting serine protease enzymes, such as TF/factor VIIa, factor Xa, thrombin and kallikrein GENENTECH, INC. (US) 2007-09-25 — — US disclosed
US-7273886-B2 For therapy and prophylaxis of clotting disorders; useful for inhibiting serine protease enzymes, such as TF/factor VIIa, factor Xa, thrombin and kallikrein GENENTECH, INC. (US) 2007-09-25 — — US disclosed
US-20070049601-A1 BENZOFURAN INHIBITORS OF FACTOR VIIa GENENTECH, INC. (US) 2007-03-01 — — US disclosed
US-20070049601-A1 BENZOFURAN INHIBITORS OF FACTOR VIIa GENENTECH, INC. (US) 2007-03-01 — — US disclosed
US-20070049601-A1 BENZOFURAN INHIBITORS OF FACTOR VIIa GENENTECH, INC. (US) 2007-03-01 — — US disclosed
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 — — US disclosed
EP-1626966-A1 BENZOFURAN INHIBITORS OF FACTOR VIIA Genentech, Inc. (US) 2006-02-22 — — EP disclosed
WO-2004113316-A1 BENZOFURAN INHIBITORS OF FACTOR VIIA GENENTECH, INC. (US) 2004-12-29 — — WO disclosed
WO-2004113316-A1 BENZOFURAN INHIBITORS OF FACTOR VIIA GENENTECH, INC. (US) 2004-12-29 — — WO disclosed
US-20040235852-A1 Benzofuran inhibitors of factor VIIa GENENTECH, INC. 2004-11-25 — — 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 (3 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-20040235852-A1 Benzofuran inhibitors of factor VIIa TFPI, HABP2, SERPINE1 ALDH1A1 604/4885KDM4E 1398/4885TSHR 3378/4885
US-20070049601-A1 BENZOFURAN INHIBITORS OF FACTOR VIIa TFPI, HABP2, F7 ALDH1A1 941/4885KDM4E 1225/4885TSHR 3289/4885
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa TFPI, F7, HABP2 ALDH1A1 3937/4885KDM4E 631/4885TSHR 3311/4885

“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.

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