SCHEMBL6295993

SCHEMBL6295993

COc1ccc(NC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.83
RAB9A P51151 13/20 0.83
SMN1; SMN2 Q16637 7/20 0.83
TP53 P04637 4/20 0.83
ALOX15 P16050 1/20 0.83
ATM Q13315 1/20 0.73
ALDH1A1 P00352 4/20 0.71
KMT2A Q03164 4/20 0.71
CYP1A2 P05177 2/20 0.71
GAA P10253 2/20 0.71
MEN1 O00255 2/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
KDM4E B2RXH2 1/20 0.68
PTPN1 P18031 1/20 0.67
LMNA P02545 3/20 0.65
PKM P14618 1/20 0.65
MITF O75030 1/20 0.65

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
Hydrochloric Acid SCHEMBL5797611 0.98 NPC1 (0.81) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL6799157 0.91 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL22495269 0.88 RAB9A (0.79) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL18938399 0.88 RAB9A (0.79) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL1918108 0.87 NPC1 (0.81) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL27181622 0.87 KMT2A (0.75) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL27180643 0.87 KMT2A (0.75) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL30341896 0.86 RAB9A (0.89) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL22192206 0.86 RAB9A (0.89) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL8769709 0.86 RAB9A (0.89) NPC1RAB9ASMN1; SMN2TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139435-A1 PROSTAGLANDIN ANALOGS AND USES THEREOF Lifex Biolabs, Inc. 2021-05-13 US disclosed
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-4160862-A ANTIINFLAMMATORY STERLING DRUG INC. (US) 1979-07-10 US disclosed
US-4021431-A ANTIINFLAMMATORY AGENTS STERLING DRUG INC. (US) 1977-05-03 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 (2 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-20210139435-A1 PROSTAGLANDIN ANALOGS AND USES THEREOF PTGDR, NR3C1, PTGIR NPC1 1626/4885RAB9A 1564/4885SMN1; SMN2 1291/4885
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 1223/4885SMN1; SMN2 3038/4885

“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.