SCHEMBL10054850

SCHEMBL10054850

Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
FADS1 O60427 1/20 0.59
MAOB P27338 3/20 0.55
MAOA P21397 2/20 0.55
KCNQ3 O43525 3/20 0.54
KCNQ2 O43526 3/20 0.54
KCNE1 P15382 3/20 0.54
KCNQ1 P51787 3/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 3/20 0.52
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
CASP3 P42574 2/20 0.52
SENP7 Q9BQF6 2/20 0.52

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
SCHEMBL11314857 0.85 NPC1 (0.56) NPC1RAB9AMAOBMAOAKCNQ3
SCHEMBL19157142 0.85 NPC1 (0.65) NPC1RAB9AMAOBMAOAKCNQ3
SCHEMBL10947015 0.85 HDAC1 (0.62) NPC1RAB9AMAOBKCNQ3KCNQ2
SCHEMBL19070454 0.84 MAPT (0.59) NPC1RAB9AKCNQ3KCNQ2MEN1
SCHEMBL17784121 0.84 NPC1 (0.60) NPC1RAB9AMAOBMAOAKCNQ3
SCHEMBL1924842 0.83 NPC1 (0.60) NPC1RAB9AMAOBMAOAKCNQ3
SCHEMBL1265375 0.82 MEN1 (0.69) NPC1RAB9AMAOBMAOAKCNQ3
SCHEMBL2679067 0.82 NPC1 (0.73) NPC1RAB9AMAOBMAOAKCNQ3
SCHEMBL7151571 0.82 MEN1 (0.59) NPC1RAB9AMAOBMEN1KMT2A
SCHEMBL11574601 0.82 NPC1 (0.56) NPC1RAB9AKCNQ3KCNQ2KCNE1

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 4 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
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 NPC1 4708/4885RAB9A 4310/4885FADS1 2989/4885

“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.