SCHEMBL2759458

SCHEMBL2759458

C=C(C)C(=O)Nc1cc(Cl)c(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
NNMT P40261 1/20 0.41
PTK2 Q05397 1/20 0.40
RAB9A P51151 6/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 4/20 0.38
MAOB P27338 1/20 0.37
FGFR4 P22455 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL18298475 0.77 NNMT (0.42) NNMTPTK2RAB9AMAPTL3MBTL1
SCHEMBL2759564 0.75 MAPT (0.46) EGFRPTK2RAB9AMAPTTDP1
SCHEMBL210400 0.75 KDR (0.53) NNMTRAB9ATDP1L3MBTL1NPC1
SCHEMBL29840601 0.75 KDR (0.53) NNMTRAB9ATDP1L3MBTL1NPC1
SCHEMBL25758601 0.71 MAP4K1 (0.58) JAK2JAK1TYK2
SCHEMBL11964358 0.71 MAPT (0.51) PTK2RAB9AMAPT
SCHEMBL18308988 0.71 GSK3B (0.47) NNMTNFKB1NFKB2RELA
SCHEMBL14294323 0.70 NPC1 (0.52) RAB9AMAPTNPC1TP53SMN1; SMN2
SCHEMBL11964359 0.70 NPC1 (0.43) EGFRRAB9AMAPTTDP1L3MBTL1
SCHEMBL13134206 0.69 RAB9A (0.50) RAB9AMAPTNPC1TP53SMN1; SMN2

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-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 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-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA EGFR 50/4885NNMT 207/4885PTK2 844/4885

“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.