SCHEMBL6295679

SCHEMBL6295679

O=C(Nc1ccc2c(c1)OCO2)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 1.00
RAB9A P51151 9/20 1.00
MAPT P10636 6/20 0.79
SMN1; SMN2 Q16637 7/20 0.77
ALDH1A1 P00352 3/20 0.77
NFKB1 P19838 2/20 0.77
NFKB2 Q00653 2/20 0.77
RELA Q04206 2/20 0.77
PKM P14618 2/20 0.77
HPGD P15428 2/20 0.75
CYP1A2 P05177 2/20 0.75
CYP3A4 P08684 2/20 0.75
CYP2D6 P10635 2/20 0.75
CYP2C9 P11712 1/20 0.75
ALOX12 P18054 1/20 0.75
CYP2C19 P33261 1/20 0.75
AHR P35869 1/20 0.74
TP53 P04637 3/20 0.72
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70

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
SCHEMBL27179668 0.92 RAB9A (0.90) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL108116 0.87 NPC1 (1.00) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL23114368 0.87 RAB9A (0.91) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4486236 0.86 RAB9A (0.80) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21933256 0.85 RAB9A (0.73) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL18941082 0.85 RAB9A (0.78) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL12700201 0.85 NPC1 (0.75) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL27180046 0.85 RAB9A (0.72) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11238457 0.84 RAB9A (1.00) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL13561178 0.84 NPC1 (0.76) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6897316-B2 Substituted 2-phenyl-4-quinolone-3-carboxylic acid compounds and their use as antitumor agents CHINA MEDICAL UNIVERSITY (TW) 2005-05-24 US disclosed
US-20050032832-A1 Substituted 2-phenyl-4-quinolone-3-carboxylic acid compounds and their use as antitumor agents CHINA MEDICAL UNIVERSITY (TW) 2005-02-10 US disclosed
US-4645778-A TREATMENT OF CARDIOVASCULAR DISORDERS RIOM LABORATOIRES C.E.R.M. "RL-CERM"S.A. (FR) 1987-02-24 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-20050032832-A1 Substituted 2-phenyl-4-quinolone-3-carboxylic acid compounds and their use as antitumor agents TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHUK NPC1 1739/4885RAB9A 1223/4885MAPT 4128/4885

“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.