SCHEMBL1804232

SCHEMBL1804232

Cc1ccc(C(N)=O)c([O])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.47
CSNK2A1 P68400 1/20 0.42
NNMT P40261 2/20 0.40
SIRT3 Q9NTG7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DGAT1 O75907 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAP2K2 P36507 1/20 0.39
MAP2K1 Q02750 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
CDC7 O00311 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38

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
SCHEMBL1804788 0.84 PARP1 (0.45) PARP1CSNK2A1NNMTSIRT3TDP1
SCHEMBL1808024 0.82 CSNK2A1 (0.57) CSNK2A1ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL284479 0.82 MKNK1 (0.49) PARP1CSNK2A1NNMTSIRT3TDP1
Hydrochloric Acid SCHEMBL27585323 0.80 MKNK1 (0.47) PARP1NNMTSIRT3TDP1ALDH1A1
SCHEMBL160721 0.80 ALDH1A1 (0.50) PARP1CSNK2A1TDP1ALDH1A1HPGD
SCHEMBL14724818 0.80 NPC1 (0.53) PARP1CSNK2A1TDP1ALDH1A1HPGD
SCHEMBL884070 0.80 NPC1 (0.53) PARP1CSNK2A1TDP1ALDH1A1HPGD
SCHEMBL24311296 0.78 PARP1 (0.44) PARP1CSNK2A1NNMTALDH1A1KDM4E
SCHEMBL2468939 0.78 NPC1 (0.55) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL1003133 0.78 DGAT1 (0.60) PARP1CSNK2A1DGAT1MAP2K2MAP2K1

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 4411/4885CSNK2A1 196/4885NNMT 1554/4885

“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.