SCHEMBL13728331

SCHEMBL13728331

COc1ccc2c(O)nc(C(F)(F)F)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ NT5E P21589 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HPGD P15428 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ NR2F2 P24468 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ FABP4 P15090 2/20 0.39

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
SCHEMBL13728628 0.81 ALDH1A1 (0.46) KMT2AALDH1A1MEN1NT5EKDM4E
SCHEMBL2711168 0.80 NT5E (0.50) KMT2AALDH1A1MEN1NT5EKDM4E
SCHEMBL13830335 0.77 L3MBTL1 (0.49) KMT2AALDH1A1MEN1KDM4EL3MBTL1
SCHEMBL8186120 0.75 ACP1 (0.45) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL8189124 0.74 APP (0.40) KDM4EMAPTCYP1A2CYP2A6
SCHEMBL2710723 0.74 NT5E (0.57) KMT2AALDH1A1MEN1NT5EKDM4E
SCHEMBL2711790 0.72 NT5E (0.51) KMT2AALDH1A1MEN1NT5EKDM4E
SCHEMBL13730043 0.72 NPC1 (0.49) KMT2AALDH1A1MEN1KDM4EL3MBTL1
SCHEMBL8151249 0.72 PTGS1 (0.43) KMT2AALDH1A1MEN1KDM4EL3MBTL1
SCHEMBL31283944 0.71 HPGD (0.51) KMT2AALDH1A1MEN1NT5EKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 — — US disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 — — US 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
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
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 — — US 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-2705049-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-19 — — EP disclosed
US-8957203-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-17 — — US disclosed
US-8957203-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-17 — — US disclosed
US-8957203-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-17 — — US 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
US-20130115190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-05-09 — — US 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
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 (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-20130115190-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 KMT2A 4612/4885ALDH1A1 421/4885MEN1 4761/4885

“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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