SCHEMBL10140688

SCHEMBL10140688

CC(=O)c1n[nH]c(-c2ccc(Br)cc2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
DYRK1B Q9Y463 3/20 0.39
DYRK1A Q13627 2/20 0.39
LMNA P02545 3/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SNCA P37840 1/20 0.36
MEN1 O00255 3/20 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
SCHEMBL10140232 0.83 ADORA3 (0.43) MAPTMAPK1TP53CYP1A2GAA
SCHEMBL10172646 0.83 KDM4C (0.51) MAPTMAPK1TP53CYP1A2CYP3A4
SCHEMBL10140753 0.76 TNIK (0.39) DYRK1BDYRK1ANPC1RAB9AMEN1
SCHEMBL20307767 0.70 MAPT (0.46) MAPTMAPK1TP53CYP1A2CYP3A4
SCHEMBL28003450 0.69 CA1 (0.60) MAPTMAPK1TP53CYP1A2CYP3A4
SCHEMBL13539292 0.67 SMN1; SMN2 (0.50) MAPTMAPK1TP53CYP1A2GAA
SCHEMBL22609379 0.66 MAPT (0.40) MAPTMAPK1TP53CYP1A2CYP3A4
SCHEMBL27935300 0.66 ALDH1A1 (0.48) MAPTMAPK1TP53DYRK1BLMNA
SCHEMBL28309438 0.66 IKBKB (0.58) MAPTLMNACNR1CNR2GPR55
SCHEMBL15077318 0.66 DYRK1A (0.61) DYRK1AKDM4E

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 MAPT 4510/4885MAPK1 3065/4885TP53 4367/4885

“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.