SCHEMBL10054831

SCHEMBL10054831

Cc1ccc(NC(=O)c2ccc(F)cc2F)cc1NC(=O)/C=C/c1cncnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 3/20 0.48
▸ NAMPT P43490 3/20 0.45
▸ HDAC3 O15379 2/20 0.45
▸ HDAC1 Q13547 3/20 0.44
▸ EGFR P00533 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ BRAF P15056 1/20 0.43
▸ HDAC2 Q92769 1/20 0.42
▸ BTK Q06187 1/20 0.41
▸ BMX P51813 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2679168 1.00 SNCA (0.48) SNCANAMPTHDAC3HDAC1EGFR
SCHEMBL10054794 0.90 NAMPT (0.58) NAMPTHDAC3HDAC1EGFRBRAF
SCHEMBL2679982 0.90 NAMPT (0.58) NAMPTHDAC3HDAC1EGFRBRAF
SCHEMBL10054829 0.87 SNCA (0.52) SNCANAMPTHDAC3HDAC1NPC1
SCHEMBL2679945 0.87 SNCA (0.52) SNCANAMPTHDAC3HDAC1NPC1
SCHEMBL2679289 0.83 SNCA (0.52) SNCANAMPTHDAC3HDAC1EGFR
SCHEMBL10078761 0.83 SNCA (0.52) SNCANAMPTHDAC3HDAC1EGFR
SCHEMBL2679953 0.82 NPC1 (0.54) NAMPTEGFRNPC1RAB9AKDM4E
SCHEMBL10054832 0.82 NPC1 (0.54) NAMPTEGFRNPC1RAB9AKDM4E
SCHEMBL2679346 0.82 KIT (0.51) NAMPTHDAC3HDAC1EGFRBRAF

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 SNCA 4238/4885NAMPT 3700/4885HDAC3 3998/4885

“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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