SCHEMBL2787494

SCHEMBL2787494

Cc1ccc2onc(NC(=O)N(S)c3ccccc3C(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.40
MAPT P10636 5/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 6/20 0.37
THRB P10828 1/20 0.37
HTR2C P28335 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FAAH O00519 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LPAR1 Q92633 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
SCHEMBL2787490 0.75 POLB (0.42) TP53MAPTPOLBSMN1; SMN2NPC1
SCHEMBL3553019 0.73 MAPT (0.43) TP53MAPTPOLBLMNAHTR2C
SCHEMBL2786779 0.73 MAPT (0.43) TP53MAPTPOLBLMNASMN1; SMN2
SCHEMBL2772972 0.72 SMN1; SMN2 (0.44) TP53SMN1; SMN2
SCHEMBL18727404 0.72 MAPT (0.52) TP53MAPTPOLBLMNASMN1; SMN2
SCHEMBL2437851 0.72 TP53 (0.56) TP53MAPTPOLBLMNASMN1; SMN2
SCHEMBL2438553 0.70 RAB9A (0.54) TP53MAPTPOLBLMNASMN1; SMN2
SCHEMBL11542153 0.69 LMNA (0.38) MAPTPOLBLMNASMN1; SMN2HTR2C
SCHEMBL2769370 0.69 MAPT (0.41) MAPT
SCHEMBL2440241 0.69 SMN1; SMN2 (0.58) TP53MAPTPOLBSMN1; SMN2THRB

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 TP53 4784/4885MAPT 2492/4885POLB 4243/4885

“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.