SCHEMBL2474294

SCHEMBL2474294

COC(=O)c1ccccc1-n1cnc(-c2c(-c3ccccc3)noc2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.48
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CRHBP P24387 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GABRA5 P31644 3/20 0.43
PTGS2 P35354 3/20 0.43
PTGS1 P23219 2/20 0.43
MAPK8 P45983 1/20 0.42
MT-CO2 P00403 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2472233 0.89 PTGS2 (0.47) MAPK14ALDH1A1GAATSHRKMT2A
SCHEMBL2468984 0.83 KDM5B (0.46) MAPK14ALDH1A1GAATSHRPTGS2
SCHEMBL2473727 0.82 MAPK14 (0.48) MAPK14ALDH1A1POLBGAAKMT2A
SCHEMBL2469066 0.82 MAPK14 (0.48) MAPK14ALDH1A1POLBGAAKMT2A
SCHEMBL2475959 0.82 GABRA5 (0.45) MAPK14ALDH1A1HSD17B10KDM4EPOLB
SCHEMBL2473927 0.81 NPSR1 (0.50) MAPK14ALDH1A1KDM4EGABRA5MAPK8
SCHEMBL2473837 0.81 GABRA5 (0.51) MAPK14ALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL2471444 0.79 PTGS1 (0.50) MAPK14ALDH1A1KDM4EPOLBGAA
SCHEMBL2473755 0.79 PTGS2 (0.50) MAPK14TSHRKMT2ASMN1; SMN2PTGS2
SCHEMBL2472880 0.78 PTGS1 (0.46) MAPK14KDM4EGAATSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 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 (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-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives GABRA5, GABRA4, GABRA1 MAPK14 4327/4885ALDH1A1 252/4885HSD17B10 2050/4885

“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.