SCHEMBL2471834

SCHEMBL2471834

CCc1onc(-c2ccccc2)c1-c1cn(-c2ccc(C(C)=O)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.49
PTGS1 P23219 2/20 0.49
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NLRP3 Q96P20 1/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
CYP3A4 P08684 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP4B1 P13584 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP3A5 P20815 1/20 0.37
CYP2A7 P20853 1/20 0.37

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
SCHEMBL2469058 0.90 RXFP1 (0.42) PTGS2PTGS1ALDH1A1MAPTCYP3A4
SCHEMBL2476794 0.89 GPR119 (0.38) PTGS2PTGS1NPC1RAB9ANLRP3
SCHEMBL2471395 0.86 MAPK14 (0.48) PTGS2PTGS1NPC1RAB9ANLRP3
SCHEMBL2321221 0.83 ESR1 (0.46) PTGS2PTGS1NPC1RAB9ANLRP3
SCHEMBL2474228 0.83 PTGS2 (0.48) PTGS2PTGS1NPC1RAB9ANLRP3
SCHEMBL2472054 0.82 GPR119 (0.42) NPC1RAB9ANLRP3ALDH1A1MAPT
SCHEMBL2470860 0.82 RXFP1 (0.42) PTGS2PTGS1ALDH1A1MAPTCYP3A4
SCHEMBL2471843 0.80 RXFP1 (0.40) PTGS2PTGS1ALDH1A1MAPTMAP4K4
SCHEMBL2469106 0.79 PTGS2 (0.47) PTGS2PTGS1NPC1RAB9ANLRP3
SCHEMBL2471573 0.79 PTGS2 (0.47) PTGS2PTGS1NPC1RAB9ANLRP3

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 6 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 claimed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US claimed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US claimed
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 PTGS2 3762/4885PTGS1 2693/4885NPC1 1036/4885

“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.