SCHEMBL1807116

SCHEMBL1807116

COc1ccc(C(N)=O)c([O])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.53
PARP10 Q53GL7 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
PARP4 Q9UKK3 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPK1 P28482 3/20 0.52
CYP3A4 P08684 2/20 0.52
RAD52 P43351 1/20 0.50
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
PGR P06401 2/20 0.46
SLC6A2 P23975 2/20 0.46

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
SCHEMBL1807278 0.86 PARP1 (0.52) PARP1PARP10CA1CA2PARP2
SCHEMBL2835948 0.86 PARP1 (0.55) PARP1PARP10CA1CA2PARP2
SCHEMBL1804047 0.84 SMN1; SMN2 (0.56) CA1CA2NPC1RAB9AKDM4E
SCHEMBL1447373 0.82 NPC1 (0.72) PARP1PARP10CA1CA2PARP2
SCHEMBL148855 0.82 ALDH1A1 (0.53) PARP1PARP10CA1CA2PARP2
SCHEMBL29624500 0.82 ALDH1A1 (0.68) PARP10CA1CA2NPC1RAB9A
SCHEMBL3343162 0.82 PARP1 (0.52) PARP1PARP10CA1CA2PARP2
SCHEMBL2542278 0.82 HTT (0.58) PARP1PARP10CA1CA2PARP2
SCHEMBL1034025 0.82 ALDH1A1 (0.68) PARP10CA1CA2NPC1RAB9A
SCHEMBL3277227 0.81 ALDH1A1 (0.62) PARP1PARP10CA1CA2PARP2

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 4411/4885PARP10 4555/4885CA1 798/4885

“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.