SCHEMBL1806407

SCHEMBL1806407

Cc1cc(C(N)=O)ccc1[NH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.48
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ LCK P06239 1/20 0.42
▸ BRD4 O60885 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ BRPF1 P55201 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HTR7 P34969 1/20 0.41
▸ PARP10 Q53GL7 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ PARP2 Q9UGN5 1/20 0.41
▸ PARP4 Q9UKK3 1/20 0.41
▸ CHEK2 O96017 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ BRD9 Q9H8M2 1/20 0.40

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
SCHEMBL1804065 0.83 PARP1 (0.48) PARP1PRSS1PRSS2PRSS3LCK
SCHEMBL1805221 0.81 TSHR (0.52) KDM4EALDH1A1SMN1; SMN2HSD17B10CA1
SCHEMBL1002832 0.80 PRSS1 (0.61) PARP1PRSS1PRSS2PRSS3LCK
SCHEMBL29503140 0.80 PRSS1 (0.61) PARP1PRSS1PRSS2PRSS3LCK
SCHEMBL2128609 0.78 PARP1 (0.52) PARP1PRSS1PRSS2PRSS3LCK
SCHEMBL9541786 0.78 PARP1 (0.52) PARP1PRSS1PRSS2PRSS3LCK
SCHEMBL1805756 0.77 LCK (0.44) PARP1PRSS1PRSS2PRSS3LCK
SCHEMBL6632819 0.77 PARP1 (0.50) PARP1PRSS1PRSS2PRSS3LCK
SCHEMBL31323218 0.77 LCK (0.53) PARP1PRSS1PRSS2PRSS3LCK
SCHEMBL171027 0.77 LCK (0.53) PARP1PRSS1PRSS2PRSS3LCK

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-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 — — US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 — — 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 PARP1 4411/4885PRSS1 2432/4885PRSS2 2288/4885

“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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