SCHEMBL11918017

SCHEMBL11918017

Cc1[nH]c2nc(-c3ccc(I)c(F)c3)nc(C)c2c1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ADORA2A P29274 8/20 0.38
▸ ADORA1 P30542 8/20 0.38
▸ TSHR P16473 1/20 0.36
▸ RAB9A P51151 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SGK1 O00141 1/20 0.31

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
SCHEMBL11913444 0.84 TRPV1 (0.38) NPSR1RXFP1ADORA2AADORA1TSHR
SCHEMBL11918018 0.79 RAB9A (0.36) NPSR1RXFP1TSHRRAB9AKMT2A
SCHEMBL13649848 0.74 ADORA1 (0.60) NPSR1RXFP1ADORA2AADORA1TSHR
SCHEMBL11918098 0.73 ADORA2A (0.31) ADORA2AADORA1KMT2AMEN1POLB
SCHEMBL16446457 0.68 TRPA1 (0.42) RAB9AKMT2ATRPA1MEN1NPC1
SCHEMBL1654710 0.67 RHEB (0.40) ADORA2AADORA1KMT2AMEN1ALDH1A1
SCHEMBL4251648 0.67 ADORA1 (0.46) ADORA2AADORA1TRPA1
SCHEMBL4251467 0.66 ABL1 (0.43) ADORA2AADORA1
SCHEMBL26327030 0.66 ALDH1A1 (0.40) ADORA2AADORA1KMT2ALMNAALDH1A1
SCHEMBL11913443 0.63 ADORA2A (0.31) ADORA2AADORA1KMT2AMEN1POLB

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 NPSR1 1646/4885RXFP1 3980/4885ADORA2A 2029/4885

“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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