SCHEMBL1804065

SCHEMBL1804065

Cc1ccc(C(N)=O)cc1[NH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 6/20 0.48
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ LCK P06239 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ BRD4 O60885 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ BRPF1 P55201 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ 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
▸ 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
SCHEMBL1806407 0.83 PARP1 (0.48) PARP1PRSS1PRSS2PRSS3LCK
SCHEMBL1803435 0.81 TSHR (0.52) MAPTTDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1002832 0.80 PRSS1 (0.61) PARP1PRSS1PRSS2PRSS3MAPT
SCHEMBL29503140 0.80 PRSS1 (0.61) PARP1PRSS1PRSS2PRSS3MAPT
SCHEMBL1808887 0.77 LCK (0.44) PARP1PRSS1PRSS2PRSS3MAPT
SCHEMBL7043883 0.77 PARP1 (0.50) PARP1PRSS1PRSS2PRSS3MAPT
SCHEMBL1805869 0.77 PARP1 (0.50) PARP1PRSS1PRSS2PRSS3MAPT
SCHEMBL6825758 0.77 PARP1 (0.50) PARP1PRSS1PRSS2PRSS3MAPT
SCHEMBL284729 0.77 TDP1 (0.73) PARP1PRSS1PRSS2PRSS3MAPT
SCHEMBL1805871 0.77 LCK (0.53) PARP1PRSS1PRSS2PRSS3MAPT

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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