SCHEMBL14924400

SCHEMBL14924400

Cc1cccc(/C=C/C(=O)N=[N+]=[N-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.50
▸ MAOB P27338 2/20 0.50
▸ PTGS1 P23219 2/20 0.44
▸ PTGS2 P35354 2/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ MMP1 P03956 3/20 0.44
▸ MMP2 P08253 3/20 0.44
▸ MMP9 P14780 3/20 0.44
▸ EGFR P00533 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ ALOX12 P18054 1/20 0.43

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
SCHEMBL13768045 0.82 NFE2L2 (0.50) MAOAMAOBPTGS1PTGS2MMP1
SCHEMBL13728324 0.81 MAOB (0.57) MAOAMAOBMAPTNPC1ALDH1A1
SCHEMBL13444198 0.81 MAOB (0.57) MAOAMAOBMAPTNPC1ALDH1A1
SCHEMBL20227829 0.81 MAOA (0.55) MAOAMAOBPTGS1PTGS2ALOX5
SCHEMBL14420555 0.81 MAPT (0.51) MAOAMAOBMMP1MMP2MMP9
SCHEMBL14416201 0.81 MAPT (0.51) MAOAMAOBMMP1MMP2MMP9
SCHEMBL29910010 0.80 MAPT (0.53) MAOAMAOBMMP1MMP2MMP9
SCHEMBL13948724 0.80 MAPT (0.53) MAOAMAOBMMP1MMP2MMP9
SCHEMBL14924042 0.79 TRPV1 (0.42) MMP1MMP2MMP9KDM4EALDH1A1
SCHEMBL14130697 0.79 MAPT (0.51) MAOAMAOBMMP1MMP2MMP9

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 7 patents. 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-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 — — US disclosed
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 — — 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
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

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-20130142754-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 MAOA 1201/4885MAOB 524/4885PTGS1 1298/4885
US-20150125422-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 MAOA 1201/4885MAOB 524/4885PTGS1 1298/4885
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, GOT1 MAOA 1201/4885MAOB 524/4885PTGS1 1298/4885
US-20130115190-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 MAOA 1201/4885MAOB 524/4885PTGS1 1298/4885

“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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