SCHEMBL2787341

SCHEMBL2787341

Cc1ccc(COc2cccc3onc(NC(=S)NC4CCCCC4)c23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
ALOX12 P18054 4/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 4/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SGMS2 Q8NHU3 4/20 0.42
CACNA1B Q00975 2/20 0.41
APBA1 Q02410 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL2787949 0.99 SMN1; SMN2 (0.44) ALDH1A1ALOX12LMNASMN1; SMN2NPC1
SCHEMBL2771308 0.95 SGMS2 (0.44) ALDH1A1ALOX12LMNASMN1; SMN2NPC1
SCHEMBL2785855 0.87 SMN1; SMN2 (0.45) ALDH1A1ALOX12SMN1; SMN2NPC1RAB9A
SCHEMBL2787342 0.80 SGMS2 (0.41) ALDH1A1SGMS2
SCHEMBL2787950 0.79 SGMS2 (0.42) ALDH1A1SGMS2
SCHEMBL2785857 0.79 SGMS2 (0.40) SGMS2
SCHEMBL2787340 0.78 SMN1; SMN2 (0.43) ALDH1A1LMNASMN1; SMN2NPC1CYP1A2
SCHEMBL2768338 0.78 SGMS2 (0.42) CYP1A2KMT2AMEN1SGMS2
SCHEMBL2768136 0.78 SGMS2 (0.42) CYP1A2KMT2AMEN1SGMS2
SCHEMBL2787946 0.77 SMN1; SMN2 (0.42) ALDH1A1LMNASMN1; SMN2NPC1CYP1A2

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 ALDH1A1 1965/4885ALOX12 3349/4885LMNA 1716/4885

“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.