SCHEMBL17131817

SCHEMBL17131817

CC(=O)Nc1ccccc1NC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.86
NPC1 O15118 11/20 0.71
RAB9A P51151 11/20 0.71
PKM P14618 4/20 0.71
SMN1; SMN2 Q16637 5/20 0.66
GAA P10253 1/20 0.65
ALOX15 P16050 1/20 0.65
MAPK1 P28482 1/20 0.65
POLB P06746 2/20 0.64
LMNA P02545 2/20 0.63
MAPT P10636 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 3/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
HPGD P15428 1/20 0.60
CASP3 P42574 1/20 0.60
SENP7 Q9BQF6 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
SCHEMBL11830460 0.86 NPC1 (0.85) PTGS2NPC1RAB9APKMSMN1; SMN2
SCHEMBL28401891 0.84 PTGS2 (0.77) PTGS2NPC1RAB9APKMSMN1; SMN2
SCHEMBL12368146 0.83 RAB9A (1.00) PTGS2NPC1RAB9APKMSMN1; SMN2
SCHEMBL21829028 0.81 PTGS2 (0.77) PTGS2NPC1RAB9APKMSMN1; SMN2
SCHEMBL11238457 0.80 RAB9A (1.00) PTGS2NPC1RAB9APKMSMN1; SMN2
SCHEMBL108264 0.78 NPC1 (0.74) PTGS2NPC1RAB9APKMSMN1; SMN2
SCHEMBL108116 0.76 NPC1 (1.00) NPC1RAB9APKMSMN1; SMN2POLB
SCHEMBL5192592 0.76 KMT2A (0.70) PTGS2NPC1RAB9APKMSMN1; SMN2
SCHEMBL12098605 0.75 MAPT (0.72) PTGS2NPC1RAB9APKMSMN1; SMN2
SCHEMBL12218536 0.75 NPC1 (0.72) NPC1RAB9ASMN1; SMN2GAAMAPT

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-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase YALE UNIVERSITY (US) 2015-10-01 US disclosed
US-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase YALE UNIVERSITY (US) 2015-10-01 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-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase KDM1B, KDM1A, JMJD1C PTGS2 2575/4885NPC1 4482/4885RAB9A 2177/4885

“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.