SCHEMBL17455777

SCHEMBL17455777

C=C(Cc1ccc(Nc2ccnc(C)c2)cc1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 8/20 0.44
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PORCN Q9H237 1/20 0.40
MGLL Q99685 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
NR3C2 P08235 1/20 0.37

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
SCHEMBL15688714 0.76 ROCK1 (0.52) HDAC3HDAC1HDAC2HDAC6SMARCA2
SCHEMBL16538491 0.76 HDAC3 (0.41) WNT3AHDAC3HDAC1HDAC2HDAC6
SCHEMBL446675 0.76 MAPT (0.51) MEN1KMT2A
SCHEMBL16054746 0.73 TGM2 (0.49) WNT3AHDAC3HDAC1HDAC2HDAC6
SCHEMBL24003836 0.72 NPC1 (0.56) HDAC3HDAC1HDAC2HDAC6SMARCA2
SCHEMBL30180617 0.71 RAD52 (0.57) HDAC3HDAC1HDAC2HDAC6SMARCA2
SCHEMBL23999529 0.71 RAD52 (0.57) HDAC3HDAC1HDAC2HDAC6SMARCA2
SCHEMBL10880029 0.70 CTBP2 (0.46) KMT2A
SCHEMBL23999635 0.70 POLB (0.56) HDAC3HDAC1HDAC2HDAC6SMARCA2
SCHEMBL26310116 0.70 KMT2A (0.60) HDAC3HDAC1HDAC2HDAC6SMARCA2

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-9637473-B2 Acrylamide derivatives as antimalarial agents ACTELION PHARMACEUTICALS LTD. (CH) 2017-05-02 US disclosed
US-20160024050-A1 NOVEL ACRYLAMIDE DERIVATIVES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2016-01-28 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-20160024050-A1 NOVEL ACRYLAMIDE DERIVATIVES AS ANTIMALARIAL AGENTS RECQL, ACR, ABCC3 WNT3A 4840/4885HDAC3 2407/4885HDAC1 3071/4885

“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.