SCHEMBL13729045

SCHEMBL13729045

COc1cc(F)ccc1C=CC(=O)N=[N+]=[N-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.50
▸ CTSB P07858 2/20 0.50
▸ AR P10275 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ APP P05067 1/20 0.44
▸ RELA Q04206 3/20 0.44
▸ NFE2L2 Q16236 3/20 0.42
▸ TFEB P19484 1/20 0.42
▸ TNFRSF1A P19438 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13729042 1.00 CTSL (0.50) CTSLCTSBARMAPTALDH1A1
SCHEMBL16470964 0.83 NFE2L2 (0.62) ARMAPTALDH1A1MEN1KMT2A
SCHEMBL2448816 0.79 CTSL (0.58) CTSLCTSBARMAPTALDH1A1
SCHEMBL2448813 0.79 CTSL (0.58) CTSLCTSBARMAPTALDH1A1
SCHEMBL24898091 0.77 CYP1A1 (0.41) MAPTMEN1KMT2AAPPKCNH2
SCHEMBL24113246 0.77 CTSL (0.38) CTSLCTSBARMAPTMEN1
SCHEMBL30310695 0.77 CTSL (0.38) CTSLCTSBARMAPTMEN1
SCHEMBL13728609 0.76 BACE1 (0.56) ALDH1A1MEN1KMT2AAPPRELA
SCHEMBL13728613 0.76 BACE1 (0.56) ALDH1A1MEN1KMT2AAPPRELA
SCHEMBL16585440 0.75 CTSL (0.54) CTSLCTSBARMAPTALDH1A1

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 17 patents. 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-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
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 — — US disclosed
US-20150284409-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 — — US disclosed
EP-2914613-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2015-09-09 — — EP disclosed
EP-2909205-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2015-08-26 — — EP 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-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 CTSL 575/4885CTSB 654/4885AR 4633/4885
US-20150284409-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 CTSL 575/4885CTSB 654/4885AR 4633/4885
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, GOT1 CTSL 575/4885CTSB 654/4885AR 4633/4885
US-20130115190-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 CTSL 575/4885CTSB 654/4885AR 4633/4885

“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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