SCHEMBL10140744

SCHEMBL10140744

CC(=O)CC(=O)Cc1ccc(Cl)nc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
NAPRT Q6XQN6 1/20 0.41
FAAH O00519 1/20 0.40
EPHX1 P07099 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL12764890 0.86 ALDH1A1 (0.62) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL7970196 0.80 RAB9A (0.51) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL9480652 0.78 ALDH1A1 (0.56) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL29515142 0.78 ALDH1A1 (0.76) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL1747868 0.78 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL1976605 0.78 ALDH1A1 (0.76) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL8135078 0.78 L3MBTL1 (0.51) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL256024 0.77 GABRP (0.61) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL30154481 0.77 GABRP (0.61) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL17321305 0.77 ALDH1A1 (0.50) ALDH1A1RAB9ANPC1KMT2AMEN1

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 ALDH1A1 1022/4885RAB9A 400/4885NPC1 1029/4885

“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.