SCHEMBL1998001

SCHEMBL1998001

CC(OC([NH])=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.58
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS1 P23219 1/20 0.43
FFAR1 O14842 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR3 Q9UBY5 1/20 0.41
ALOX5 P09917 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 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
SCHEMBL871942 0.85 HCAR2 (0.59) HCAR2ALDH1A1TP53HSD17B10KMT2A
SCHEMBL1694877 0.83 HCAR2 (0.61) HCAR2ALDH1A1TP53HSD17B10KMT2A
SCHEMBL3786370 0.83 HCAR2 (0.61) HCAR2ALDH1A1TP53HSD17B10KMT2A
SCHEMBL3625234 0.83 HCAR2 (0.61) HCAR2ALDH1A1TP53HSD17B10KMT2A
SCHEMBL871943 0.83 HCAR2 (0.61) HCAR2ALDH1A1TP53HSD17B10KMT2A
SCHEMBL8088686 0.83 HCAR2 (0.61) HCAR2ALDH1A1TP53HSD17B10KMT2A
SCHEMBL3625229 0.83 HCAR2 (0.61) HCAR2ALDH1A1TP53HSD17B10KMT2A
SCHEMBL3786371 0.83 HCAR2 (0.61) HCAR2ALDH1A1TP53HSD17B10KMT2A
SCHEMBL114793 0.81 HCAR2 (0.59) HCAR2ALDH1A1TP53HSD17B10KMT2A
SCHEMBL6392245 0.81 HCAR2 (0.59) HCAR2ALDH1A1TP53HSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2497475-A1 Treatment of laminitis with platelet aggregation inhibitors Dussler, Sabine (DE) 2012-09-12 EP disclosed
US-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES JITSUOKA MAKOTO (JP) 2012-06-14 US disclosed
US-8158791-B2 Aza-substituted spiro derivatives MSD K.K. (JP) 2012-04-17 US disclosed
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-7960402-B2 Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20090258871-A1 Aza-Substituted Spiro Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-10-15 US disclosed
EP-1795527-B1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMA CO LTD (JP) 2009-04-22 EP disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
EP-1953165-A1 AZA-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-08-06 EP disclosed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 US disclosed
EP-0542411-A2 Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation Sankyo Company Limited (JP) 1993-05-19 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed
EP-0215435-B1 2-OXA-ISOCEPHEM COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
US-5037976-A Antimicrobial Agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
US-4898859-A 2-Oxa-isocephem compounds and compositions containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-06 US disclosed
US-4831026-A ANTIBIOTICS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0282895-A2 2-oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-09-21 EP disclosed
EP-0215435-A1 2-Oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-03-25 EP disclosed
US-4578381-A ANTIULCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-25 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 (4 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-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES AZI2, NR3C2, DNMT3A HCAR2 2142/4885ALDH1A1 873/4885TP53 2746/4885
US-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 HCAR2 24/4885ALDH1A1 2782/4885TP53 2420/4885
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative HRH3, HRH4, HRH2 HCAR2 17/4885ALDH1A1 1954/4885TP53 4425/4885
US-20090258871-A1 Aza-Substituted Spiro Derivatives AZI2, NR3C2, DNMT3A HCAR2 2142/4885ALDH1A1 873/4885TP53 2746/4885

“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.