SCHEMBL13729148

SCHEMBL13729148

[N-]=[N+]=NC(=O)/C=C/c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ GSR P00390 1/20 0.53
▸ MAPT P10636 6/20 0.49
▸ NPC1 O15118 6/20 0.49
▸ RAB9A P51151 6/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MAOB P27338 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ LMNA P02545 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP1A1 P04798 1/20 0.47
▸ AHR P35869 1/20 0.47
▸ CYP1B1 Q16678 1/20 0.47

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
SCHEMBL13729150 1.00 HDAC1 (0.53) HDAC1HDAC8HDAC6GSRMAPT
SCHEMBL15958497 0.88 PTGS2 (0.47) HDAC1HDAC8HDAC6GSRMAPT
SCHEMBL22229994 0.79 CYP1A2 (0.40) HDAC8MAPTKMT2AMAOBMEN1
SCHEMBL18201983 0.78 HDAC8 (0.55) HDAC8HDAC6MAPTNPC1RAB9A
SCHEMBL16470964 0.77 NFE2L2 (0.62) MAPTNPC1RAB9AKMT2AMAOB
SCHEMBL13948724 0.76 MAPT (0.53) HDAC1HDAC8HDAC6MAPTNPC1
SCHEMBL29910010 0.76 MAPT (0.53) HDAC1HDAC8HDAC6MAPTNPC1
SCHEMBL11694451 0.75 HDAC1 (0.54) HDAC1HDAC8HDAC6GSRMAPT
SCHEMBL11694446 0.75 HDAC1 (0.54) HDAC1HDAC8HDAC6GSRMAPT
SCHEMBL5426825 0.75 HDAC1 (0.54) HDAC1HDAC8HDAC6GSRMAPT

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 35 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-2721053-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-19 — — EP disclosed
EP-2721053-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-19 — — EP disclosed
US-20130142754-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-06-06 — — US disclosed
US-20130142754-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-06-06 — — US disclosed
US-20130142754-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-06-06 — — 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
US-20130115190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-05-09 — — US disclosed
WO-2012173983-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-20 — — WO disclosed
WO-2012173983-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-20 — — WO 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 (2 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-20130142754-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 HDAC1 1322/4885HDAC8 2235/4885HDAC6 827/4885
US-20130115190-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 HDAC1 1322/4885HDAC8 2235/4885HDAC6 827/4885

“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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