SCHEMBL11913448

SCHEMBL11913448

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ 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
▸ TRPV1 Q8NER1 1/20 0.36
▸ SGK1 O00141 5/20 0.36
▸ KMO O15229 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TGFBR1 P36897 2/20 0.34
▸ TGFBR2 P37173 1/20 0.34
▸ RAPGEF4 Q8WZA2 1/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ S1PR1 P21453 1/20 0.33

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
SCHEMBL11918018 0.84 RAB9A (0.36) RAB9AKMT2AALDH1A1GLAPOLB
SCHEMBL11917993 0.84 ABL1 (0.37) CYP1A2ABL1TRPV1KMOTGFBR1
SCHEMBL11902528 0.81 ABL1 (0.39) CYP1A2ABL1ALDH1A1SMN1; SMN2KMO
SCHEMBL11913444 0.79 TRPV1 (0.38) CYP1A2ABL1TRPV1SGK1TRPA1
SCHEMBL11913440 0.73 TGFBR1 (0.30) TGFBR1TGFBR2
SCHEMBL12888472 0.70 CYP1A2 (0.42) CYP1A2ABL1RAB9ATRPV1KMO
SCHEMBL16446457 0.70 TRPA1 (0.42) CYP1A2RAB9AKMT2AALDH1A1GLA
SCHEMBL25047586 0.68 KDM4E (0.33) KMO
SCHEMBL12884908 0.68 NPC1 (0.44) CYP1A2ABL1RAB9APOLBTRPV1
SCHEMBL12888333 0.68 ABL1 (0.44) CYP1A2ABL1RAB9AKMT2ATRPV1

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 CYP1A2 75/4885ABL1 859/4885RAB9A 2839/4885

“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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