SCHEMBL1804337

SCHEMBL1804337

COc1cc([NH])c(Cl)cc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.49
▸ LRRK2 Q5S007 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ ADRA2A P08913 2/20 0.39
▸ ADRA2C P18825 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 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
SCHEMBL1808576 0.84 KDM4E (0.50) GAAALDH1A1KDM4EHPGDHTT
SCHEMBL3876555 0.84 GAA (0.53) GAALRRK2ALDH1A1KDM4EGLA
SCHEMBL1804450 0.82 HTT (0.50) ALDH1A1KDM4EHTTMKNK1MKNK2
SCHEMBL725809 0.81 GAA (0.73) GAAALDH1A1GLAADRA2AADRA2C
SCHEMBL1718762 0.80 GAA (0.49) GAALRRK2ALDH1A1KDM4EGLA
Hydrochloric Acid SCHEMBL724940 0.79 GAA (0.71) GAAALDH1A1GLAADRA2AADRA2C
Hydrochloric Acid SCHEMBL5011467 0.79 GAA (0.47) GAALRRK2ALDH1A1KDM4EGLA
SCHEMBL12316334 0.78 GAA (0.47) GAALRRK2ALDH1A1KDM4EGLA
SCHEMBL4639215 0.77 GAA (0.46) GAALRRK2ALDH1A1KDM4EGLA
SCHEMBL12515332 0.77 CYP3A4 (0.52) GAAALDH1A1KDM4EGLAHPGD

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 GAA 2451/4885LRRK2 735/4885ALDH1A1 218/4885

“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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