SCHEMBL2468940

SCHEMBL2468940

N#Cc1ccc(-n2cnc(-c3c(-c4ccccc4)noc3CO)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NLRP3 Q96P20 1/20 0.40
PTGS1 P23219 2/20 0.38
GRM5 P41594 1/20 0.38
GABRA5 P31644 1/20 0.36
NOTUM Q6P988 1/20 0.34
CYP19A1 P11511 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
CSF1R P07333 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL2469106 0.89 PTGS2 (0.47) PTGS2NPC1RAB9ANLRP3PTGS1
SCHEMBL5005121 0.87 GABRA5 (0.40) PTGS2NPC1RAB9ANLRP3PTGS1
SCHEMBL2470915 0.84 PTGS2 (0.47) PTGS2NPC1RAB9ANLRP3PTGS1
SCHEMBL2471706 0.83 PTGS2 (0.41) PTGS2NPC1RAB9ANLRP3PTGS1
SCHEMBL2317482 0.81 ESR1 (0.45) PTGS2NPC1RAB9ANLRP3PTGS1
SCHEMBL4549454 0.77 NPC1 (0.65) NPC1RAB9ANLRP3GRM5GABRA5
SCHEMBL2473628 0.74 MCHR1 (0.41) PTGS2NOTUM
SCHEMBL2471834 0.74 PTGS2 (0.49) PTGS2NPC1RAB9ANLRP3PTGS1
SCHEMBL2469036 0.74 GRM5 (0.54) PTGS2PTGS1GRM5GABRA5CSF1R
SCHEMBL2472044 0.74 PTGS2 (0.41) PTGS2PTGS1

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 3762/4885NPC1 1036/4885RAB9A 880/4885

“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.