SCHEMBL3055165

SCHEMBL3055165

O=C(O)c1ccc(Cl)nc1NCc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4C Q9H3R0 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KDM6B O15054 1/20 0.46
KDM4A O75164 1/20 0.46
KDM4D Q6B0I6 1/20 0.46
KDR P35968 8/20 0.45
SORT1 Q99523 1/20 0.45
PLAU P00749 2/20 0.44
CSNK2A1 P68400 1/20 0.42
PPARG P37231 1/20 0.41
FLT1 P17948 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL429755 0.86 HTT (0.52) KDRSORT1
SCHEMBL3060372 0.85 KDR (0.48) KDRPLAUFLT1
SCHEMBL444440 0.83 KDM5B (0.49) KDM5BMEN1KMT2AL3MBTL1KDM4C
SCHEMBL31139804 0.81 KDM4E (0.53) KDM5BMEN1KMT2AKDM4E
SCHEMBL6103515 0.81 KDM4E (0.53) KDM5BMEN1KMT2AKDM4E
SCHEMBL429462 0.81 KDR (0.71) KDRFLT1
SCHEMBL14515126 0.81 KDR (0.40) MEN1KMT2AL3MBTL1KDRPLAU
SCHEMBL429454 0.78 KDR (0.73) KDRFLT1
SCHEMBL429478 0.77 KDR (0.75) KDRFLT1
SCHEMBL720894 0.77 GABRP (0.42) MEN1KMT2AKDM4ESORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 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-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 KDM5B 2664/4885MEN1 1485/4885KMT2A 1349/4885

“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.