SCHEMBL10140232

SCHEMBL10140232

CC(=O)c1n[nH]c(-c2ccccc2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
RPS6KA3 P51812 1/20 0.41
MAPT P10636 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.39
SERPINE1 P05121 1/20 0.39
PLA2G10 O15496 1/20 0.38
CYP1A2 P05177 1/20 0.38
TP53 P04637 2/20 0.38
RNASEH1 O60930 1/20 0.37

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
SCHEMBL10140688 0.83 MAPT (0.41) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL13539292 0.83 SMN1; SMN2 (0.50) ADORA3SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL10172622 0.79 KDM4E (0.56) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL10140753 0.75 TNIK (0.39) ALDH1A1KDM4ENPC1RAB9A
SCHEMBL570062 0.74 PIN1 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11810834 0.74 SMN1; SMN2 (0.44) ADORA3SMN1; SMN2RPS6KA3MAPTALDH1A1
SCHEMBL7912654 0.72 ALDH1A1 (0.52) ADORA3SMN1; SMN2RPS6KA3MAPTALDH1A1
SCHEMBL8889764 0.72 SMN1; SMN2 (0.51) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL1528572 0.72 ALDH1A1 (0.60) SMN1; SMN2RPS6KA3MAPTALDH1A1KDM4E
SCHEMBL20837304 0.71 KMT2A (0.45) ADORA3SMN1; SMN2RPS6KA3MAPTALDH1A1

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-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 ADORA3 2244/4885SMN1; SMN2 3004/4885RPS6KA3 1856/4885

“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.