SCHEMBL13728613

SCHEMBL13728613

COc1cc(C=CC(=O)N=[N+]=[N-])ccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.56
▸ CXCL12 P48061 2/20 0.48
▸ KDR P35968 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TUBB1 Q9H4B7 2/20 0.46
▸ NFE2L2 Q16236 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ HSD11B1 P28845 1/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46

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
SCHEMBL13728609 1.00 BACE1 (0.56) BACE1CXCL12KDRKDM4EHSD17B10
SCHEMBL15647863 0.88 KDM4E (0.61) KDM4EHSD17B10ALDH1A1HPGDALOX15
SCHEMBL15647861 0.88 KDM4E (0.61) KDM4EHSD17B10ALDH1A1HPGDALOX15
SCHEMBL31588999 0.84 KDM4E (0.47) BACE1CXCL12KDM4EHSD17B10ALDH1A1
SCHEMBL15646509 0.84 CXCL12 (0.48) BACE1CXCL12KDM4EHSD17B10ALDH1A1
SCHEMBL15646507 0.84 CXCL12 (0.48) BACE1CXCL12KDM4EHSD17B10ALDH1A1
SCHEMBL13489637 0.83 CYP1A1 (0.48) BACE1NFE2L2CYP1A2HSD11B1CA12
SCHEMBL31308838 0.83 CYP1A1 (0.48) BACE1NFE2L2CYP1A2HSD11B1CA12
SCHEMBL22391534 0.79 APP (0.69) BACE1CXCL12KDRKDM4EHSD17B10
SCHEMBL1536425 0.79 KDM4E (0.73) BACE1CXCL12KDRKDM4EHSD17B10

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914613-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-22 — — EP disclosed
US-9598433-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 — — US disclosed
US-9580463-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-28 — — US disclosed
EP-2964664-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-01-11 — — EP disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 — — US disclosed
EP-2909205-B1 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 — — EP disclosed
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 — — US disclosed
EP-2705049-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-19 — — EP disclosed
EP-2964664-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2016-01-13 — — EP disclosed
US-20150376233-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-31 — — US disclosed
WO-2015102929-A1 TRICYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2015-07-09 — — WO disclosed
US-20150183802-A1 TRICYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2015-07-02 — — US disclosed
US-20150125422-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-05-07 — — US disclosed
US-8957203-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-17 — — US disclosed
WO-2014137869-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-12 — — WO disclosed
WO-2014070964-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-08 — — WO disclosed
WO-2014062196-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 — — WO disclosed
EP-2705049-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2014-03-12 — — EP disclosed
US-20130115190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-05-09 — — US disclosed
WO-2012151195-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-08 — — 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 (4 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-20150125422-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 BACE1 4150/4885CXCL12 3178/4885KDR 4647/4885
US-20150376233-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, GOT1 BACE1 4150/4885CXCL12 3178/4885KDR 4647/4885
US-20130115190-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 BACE1 4150/4885CXCL12 3178/4885KDR 4647/4885
US-20150183802-A1 TRICYCLIC SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, STS BACE1 3676/4885CXCL12 3781/4885KDR 3571/4885

“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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