SCHEMBL17318503

SCHEMBL17318503

CC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.77
HPGD P15428 4/20 0.77
HSD17B10 Q99714 3/20 0.77
KDM4E B2RXH2 3/20 0.77
KMT2A Q03164 10/20 0.72
MEN1 O00255 8/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
KLK7 P49862 1/20 0.66
POLB P06746 3/20 0.65
ALOX15 P16050 1/20 0.63
MAPT P10636 5/20 0.62
TSHR P16473 2/20 0.62
PLA2G1B P04054 1/20 0.60
ATG4B Q9Y4P1 1/20 0.60
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
USP2 O75604 1/20 0.60
THRB P10828 1/20 0.60
NR4A1 P22736 1/20 0.60
APEX1 P27695 1/20 0.60

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
SCHEMBL17318509 0.87 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL17318561 0.84 MEN1 (1.00) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL17318535 0.82 KMT2A (1.00) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL17318500 0.81 ALDH1A1 (0.72) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL17318507 0.80 MEN1 (1.00) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL17777361 0.79 RAB9A (0.64) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL17318590 0.79 MEN1 (0.80) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL17318549 0.79 KMT2A (0.73) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL17318512 0.79 POLB (1.00) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL25415861 0.78 RAB9A (0.72) ALDH1A1HPGDHSD17B10KDM4EKMT2A

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-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-27 US disclosed
WO-2015187827-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-10 WO 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-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, EIF2AK2 ALDH1A1 3582/4885HPGD 4520/4885HSD17B10 3415/4885

“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.