SCHEMBL1760358

SCHEMBL1760358

CCc1cncc(C(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.41
KDM4E B2RXH2 4/20 0.41
NAPRT Q6XQN6 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.38
ALOX15 P16050 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
ACMSD Q8TDX5 1/20 0.35
HIF1A Q16665 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 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
SCHEMBL15272578 0.84 MRGPRX4 (0.38) MRGPRX4ALDH1A1MAPTNPC1RAB9A
SCHEMBL7573577 0.82 ADORA3 (0.42) KDM4EMRGPRX4TSHRTDP1LMNA
SCHEMBL2913539 0.80 MRGPRX4 (0.32) MRGPRX4CYP1A2POLB
SCHEMBL24993307 0.79 P2RX7 (0.42) KDM4EMRGPRX4ALDH1A1CYP2C19L3MBTL1
SCHEMBL14872363 0.79 MRGPRX4 (0.57) MRGPRX4ALDH1A1GABRPGABRDGABRA1
SCHEMBL31721256 0.79 KDM4E (0.37) HCAR2KDM4ENAPRTMRGPRX4ALOX15
SCHEMBL14028865 0.79 HCAR2 (0.48) HCAR2KDM4EALOX15ALDH1A1TSHR
SCHEMBL69399 0.78 KDM4E (0.55) HCAR2KDM4ENAPRTALOX15ALDH1A1
SCHEMBL8513171 0.77 KDM4E (0.38) HCAR2KDM4ENAPRTMRGPRX4ALOX15
SCHEMBL20198550 0.76 MRGPRX4 (0.32) MRGPRX4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023235753-A2 ALDH2 INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-12-07 WO disclosed
US-11807621-B2 Compounds and compositions for use in treating skin disorders KAMARI PHARMA LTD. (IL) 2023-11-07 US disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
EP-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 EP disclosed
EP-2654422-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME H. Lundbeck A/S (DK) 2013-10-30 EP disclosed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2499121-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. F. Hoffmann-La Roche AG (CH) 2012-09-19 EP disclosed
CN-102686572-A Oxazoline derivatives for treatment of CNS disorders HOFFMANN LA ROCHE 2012-09-19 CN disclosed
WO-2012088365-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2012-06-28 WO disclosed
WO-2011057973-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 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 (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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 HCAR2 378/4885KDM4E 4542/4885NAPRT 2290/4885
US-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R HCAR2 380/4885KDM4E 2556/4885NAPRT 758/4885
US-11807621-B2 Compounds and compositions for use in treating skin disorders RDX, HAX1, F12 HCAR2 1257/4885KDM4E 1470/4885NAPRT 1442/4885

“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.