SCHEMBL185428

SCHEMBL185428

COc1ncc(C(=O)O)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAP4K4 O95819 1/20 0.50
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
P4HA1 P13674 2/20 0.45
P4HTM Q9NXG6 2/20 0.45
HCAR2 Q8TDS4 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MIF P14174 1/20 0.43
HCAR3 P49019 2/20 0.42
CA12 O43570 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42

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
SCHEMBL2187864 0.82 MAPT (0.43) KDM4EMAP4K4MAPTMAPK1L3MBTL1
SCHEMBL17185819 0.81 PLK1 (0.50) ALDH1A1MAPK1LMNA
SCHEMBL2039580 0.81 MAP4K4 (0.69) HSD17B10MAP4K4CA1CA2
SCHEMBL4038270 0.80 MAPK1 (0.55) KDM4EALDH1A1CA1CA2MAPT
SCHEMBL2715514 0.80 NNMT (0.58) MAP4K4CA1CA2MAPK1NNMT
SCHEMBL186124 0.78 MAPT (0.59) KDM4EALDH1A1ALOX15HSD17B10P4HA1
SCHEMBL15514113 0.78 HCAR3 (0.50) KDM4EALDH1A1ALOX15HSD17B10P4HA1
SCHEMBL27717025 0.77 BAZ2B (0.42) KDM4EMAP4K4MAPTL3MBTL1NNMT
SCHEMBL840770 0.77 KMT2A (0.50) KDM4EALDH1A1ALOX15HSD17B10P4HA1
SCHEMBL20588333 0.77 HPGDS (0.53) KDM4EALDH1A1ALOX15HSD17B10MAP4K4

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 187 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 EP claimed
CN-103814021-B Dihydroquinoline 2 ketone derivatives 霍夫曼-拉罗奇有限公司 2016-12-21 CN claimed
CN-103249727-B Biaryl amide derivatives 霍夫曼-拉罗奇有限公司 2016-08-10 CN claimed
US-9260408-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-02-16 US claimed
EP-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 EP claimed
CN-103328436-B Aryl-Benzocycloalkylamide Derivatives HOFFMANN LA ROCHE 2015-06-10 CN claimed
US-20150065516-A1 NEW BIARYL AMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2015-03-05 US claimed
EP-2668155-B1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-11-26 EP claimed
EP-2755963-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-07-23 EP claimed
EP-2668155-A2 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 EP claimed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
EP-2499121-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. F. Hoffmann-La Roche AG (CH) 2012-09-19 EP claimed
WO-2012101011-A2 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 WO claimed
WO-2012089601-A1 NEW BIARYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-05 WO claimed
US-20120165338-A1 NEW BIARYL AMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-06-28 US claimed
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed
US-7812040-B2 such as 3-(3-Acetyl-phenyl)-1-[3-(3-chloro-4-pyrrolidin-1-ylmethyl-phenoxy)-cyclobutylmethyl]-1-methyl-urea, used for the treatment of , schizophrenia, Alzheimer's disease, attention-deficit hyperactivity disorder, hypotension, allergies, cardiovascular, gastrointestinal and psychological disorders PFIZER INC. (US) 2010-10-12 US claimed
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER INC. (US) 2009-05-21 US claimed
EP-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP claimed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20150065516-A1 NEW BIARYL AMIDE DERIVATIVES BICRA, HDAC10, BRD7 KDM4E 2244/4885ALDH1A1 974/4885ALOX15 4786/4885
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS HRH3, HRH4, HRH2 KDM4E 3381/4885ALDH1A1 923/4885ALOX15 1685/4885
US-20120165338-A1 NEW BIARYL AMIDE DERIVATIVES BICRA, HDAC10, BRD7 KDM4E 2244/4885ALDH1A1 974/4885ALOX15 4786/4885

“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.