SCHEMBL10140749

SCHEMBL10140749

CC(=O)C(=[N+]=[N-])C(=O)Cc1ccc(Cl)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
NAPRT Q6XQN6 1/20 0.39
FFAR1 O14842 1/20 0.38
CYP2C9 P11712 1/20 0.37
NAMPT P43490 1/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL9404025 0.77 KDM4E (0.37) ALDH1A1TDP1
SCHEMBL12764890 0.76 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AATMRAB9A
SCHEMBL9480652 0.76 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AATMRAB9A
SCHEMBL8749059 0.75 CES1 (0.57) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL30154481 0.74 GABRP (0.61) ALDH1A1MEN1KMT2AATMRAB9A
SCHEMBL256024 0.74 GABRP (0.61) ALDH1A1MEN1KMT2AATMRAB9A
SCHEMBL10140684 0.74 KMT2A (0.41) MEN1KMT2ANPC1L3MBTL1
SCHEMBL10140744 0.71 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AATMRAB9A
SCHEMBL167654 0.70 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AATMRAB9A
SCHEMBL29457418 0.70 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AATMRAB9A

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 1022/4885MEN1 994/4885KMT2A 2422/4885

“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.