SCHEMBL2787490

SCHEMBL2787490

Cc1ccc2onc(NC(=S)Nc3ccccc3C(C)C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.41
LPAR1 Q92633 1/20 0.41
ALOX12 P18054 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.36

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
SCHEMBL2769368 0.87 POLB (0.49) POLBMAPTTP53ALOX12NPSR1
SCHEMBL2787494 0.75 TP53 (0.40) POLBMAPTTP53LPAR1NPSR1
SCHEMBL2787487 0.74 LPAR1 (0.48) POLBMAPTTP53LPAR1SMN1; SMN2
SCHEMBL2771566 0.73 ALDH1A1 (0.50) MAPTTP53NPSR1GAAKDM4E
SCHEMBL2784411 0.71 EPHX2 (0.56) MAPTGAAHTTSMN1; SMN2RAB9A
SCHEMBL2786776 0.71 LMNA (0.52) MAPTNPSR1GAAKDM4ESMN1; SMN2
SCHEMBL2768746 0.70 TP53 (0.48) MAPTTP53ALOX12NPSR1GAA
SCHEMBL2768041 0.70 ALDH1A1 (0.53) MAPTTP53ALOX12GAAKDM4E
SCHEMBL2768775 0.70 ALDH1A1 (0.46) POLBMAPTALOX12GAAKDM4E
SCHEMBL2437851 0.69 TP53 (0.56) POLBMAPTTP53SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US claimed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 POLB 4243/4885MAPT 2492/4885TP53 4784/4885

“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.