SCHEMBL2768892

SCHEMBL2768892

S=C(NCCc1ccc(Cl)cc1)Nc1noc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.54
MEN1 O00255 8/20 0.54
MAPT P10636 8/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ALOX12 P18054 4/20 0.50
ALDH1A1 P00352 4/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 5/20 0.49
HTT P42858 2/20 0.49
TP53 P04637 2/20 0.49
XBP1 P17861 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.46
MAPK1 P28482 1/20 0.45
PTPN7 P35236 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL2768095 0.90 RAB9A (0.55) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL2767616 0.89 KMT2A (0.57) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL2770582 0.80 KMT2A (0.51) KMT2AMAPTSMN1; SMN2ALOX12ALDH1A1
SCHEMBL2769999 0.78 MAOB (0.54) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL2768300 0.77 SMN1; SMN2 (0.48) MAPTSMN1; SMN2ALOX12ALDH1A1GAA
SCHEMBL2769003 0.77 PKM (0.53) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2768824 0.77 SMN1; SMN2 (0.57) KMT2AMEN1MAPTSMN1; SMN2ALOX12
SCHEMBL2768260 0.75 MEN1 (0.54) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL2786232 0.74 SMN1; SMN2 (0.47) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL2771152 0.74 MEN1 (0.52) KMT2AMEN1MAPTSMN1; SMN2NPC1

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 KMT2A 197/4885MEN1 3801/4885MAPT 2492/4885

“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.