SCHEMBL17157652

SCHEMBL17157652

O=C(O)C(=O)C=Cc1ccc(Br)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.42
KMT2A Q03164 5/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 7/20 0.40
MAPT P10636 4/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 3/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 5/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 3/20 0.36
ALPL P05186 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
G6PD P11413 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL17157651 1.00 DAO (0.42) DAOKMT2AMAPK1RAB9AMAPT
SCHEMBL1775432 0.85 KMT2A (0.56) DAOKMT2AMAPK1RAB9AMAPT
SCHEMBL1775435 0.85 KMT2A (0.56) DAOKMT2AMAPK1RAB9AMAPT
SCHEMBL4486601 0.81 GLA (0.44) DAOKMT2AMAPK1RAB9AMAPT
SCHEMBL4486603 0.81 GLA (0.44) DAOKMT2AMAPK1RAB9AMAPT
SCHEMBL17158027 0.80 RAB9A (0.39) DAOKMT2AMAPK1RAB9AMAPT
SCHEMBL17158028 0.80 RAB9A (0.39) DAOKMT2AMAPK1RAB9AMAPT
SCHEMBL28774607 0.79 CES2 (0.41) DAOKMT2AMAPK1RAB9AMAPT
SCHEMBL4607453 0.78 MAOA (0.46) DAOKMT2AMAPK1RAB9AMAPT
SCHEMBL4607447 0.78 MAOA (0.46) DAOKMT2AMAPK1RAB9AMAPT

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-9376420-B2 4,5-dihydro-1H-pyrazole derivative or salts thereof, and pharmaceutical composition comprising same YUHAN CORPORATION (KR) 2016-06-28 US disclosed
US-20150291563-A1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVE OR SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME YUHAN CORPORATION (KR) 2015-10-15 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-20150291563-A1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVE OR SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME NR1H3, NR1H2, NR1H4 DAO 4244/4885KMT2A 2576/4885MAPK1 1222/4885

“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.