SCHEMBL2679665

SCHEMBL2679665

Cc1ccc([N+](=O)[O-])cc1NC(=O)C=Cc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ KMT2A Q03164 6/20 0.52
▸ MAPT P10636 5/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ LMNA P02545 1/20 0.50
▸ HTT P42858 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ TRPV1 Q8NER1 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
SCHEMBL2679660 1.00 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AKMT2AMAPT
SCHEMBL2679758 0.81 HDAC3 (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL2679766 0.81 HDAC3 (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL13352230 0.80 MMP1 (0.64) ALDH1A1NPC1RAB9AKMT2AMAPT
SCHEMBL10054788 0.80 MAPT (0.59) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL10054824 0.78 SMN1; SMN2 (0.51) ALDH1A1NPC1RAB9AKMT2AMAPT
SCHEMBL2679821 0.78 SMN1; SMN2 (0.51) ALDH1A1NPC1RAB9AKMT2AMAPT
SCHEMBL2679819 0.78 SMN1; SMN2 (0.51) ALDH1A1NPC1RAB9AKMT2AMAPT
SCHEMBL7822330 0.78 ALDH1A1 (0.67) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7822334 0.78 ALDH1A1 (0.67) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1

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 2 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-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 ALDH1A1 254/4885NPC1 4708/4885RAB9A 4310/4885

“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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