SCHEMBL11918018

SCHEMBL11918018

Cc1c[nH]c2nc(-c3ccc(I)c(F)c3)nc(C)c12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TRPA1 O75762 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ DYRK1A Q13627 2/20 0.34
▸ TGFBR1 P36897 3/20 0.34
▸ TGFBR2 P37173 1/20 0.34
▸ LIMK1 P53667 6/20 0.33
▸ ROCK2 O75116 5/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ SGK1 O00141 3/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ROCK1 Q13464 1/20 0.30

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
SCHEMBL11913448 0.84 CYP1A2 (0.38) RAB9AKMT2AALDH1A1GLAPOLB
SCHEMBL11918017 0.79 NPSR1 (0.38) RAB9AKMT2AALDH1A1GLAPOLB
SCHEMBL16446457 0.78 TRPA1 (0.42) RAB9AKMT2AALDH1A1GLASMN1; SMN2
SCHEMBL11918051 0.73 DYRK1A (0.38) DYRK1ATGFBR1TGFBR2
SCHEMBL11917993 0.69 ABL1 (0.37) TRPA1TGFBR1TGFBR2LIMK1ROCK2
SCHEMBL10307717 0.68 DYRK1A (0.38) RAB9AKMT2AALDH1A1GLAPOLB
SCHEMBL16446732 0.67 NR3C1 (0.44) RAB9AKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL11902528 0.67 ABL1 (0.39) ALDH1A1SMN1; SMN2LIMK1ROCK2
SCHEMBL23170089 0.64 TGFBR1 (0.40) RAB9AKMT2AALDH1A1TRPA1MEN1
SCHEMBL11913444 0.63 TRPV1 (0.38) TRPA1NPSR1RXFP1SGK1TSHR

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-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO RAB9A 2839/4885KMT2A 1798/4885ALDH1A1 718/4885

“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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