SCHEMBL10054788

SCHEMBL10054788

Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ NAMPT P43490 7/20 0.53
▸ TGM2 P21980 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.50

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
SCHEMBL2679821 0.88 SMN1; SMN2 (0.51) MAPTNPC1ALDH1A1POLBRAB9A
SCHEMBL2679819 0.88 SMN1; SMN2 (0.51) MAPTNPC1ALDH1A1POLBRAB9A
SCHEMBL10054824 0.88 SMN1; SMN2 (0.51) MAPTNPC1ALDH1A1POLBRAB9A
SCHEMBL10054789 0.82 NAMPT (0.54) MAPTNPC1RAB9ANAMPT
SCHEMBL10077749 0.81 NAMPT (0.53) MAPTNPC1RAB9ANAMPT
SCHEMBL2705335 0.81 NAMPT (0.53) MAPTNPC1RAB9ANAMPT
SCHEMBL10054867 0.81 NAMPT (0.53) MAPTNPC1RAB9ANAMPT
SCHEMBL2680460 0.80 NAMPT (0.53) MAPTNPC1RAB9ANAMPT
SCHEMBL10054869 0.80 NAMPT (0.55) MAPTNPC1RAB9ANAMPT
SCHEMBL2679660 0.80 ALDH1A1 (0.54) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426446-B2 Acrylamide derivative and use thereof in manufacture of medicament BEIJING SHIQIAO BIOPHARM CO. LTD. (CN) 2013-04-23 — — US disclosed
US-8426446-B2 Acrylamide derivative and use thereof in manufacture of medicament BEIJING SHIQIAO BIOPHARM CO. LTD. (CN) 2013-04-23 — — US disclosed
US-20120116075-A1 Acrylamide Derivative And Use Thereof In Manufacture Of Medicament BEIJING JIASHILIANBO PHARM SCI & TECH CO. LTD 2012-05-10 — — 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 (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-20120116075-A1 Acrylamide Derivative And Use Thereof In Manufacture Of Medicament ABL1, ABL2, BCR MAPT 1476/4885NPC1 4708/4885ALDH1A1 254/4885

“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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