SCHEMBL2768095

SCHEMBL2768095

S=C(NCCc1ccccc1)Nc1noc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.55
NPC1 O15118 3/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
SMN1; SMN2 Q16637 6/20 0.54
ALDH1A1 P00352 9/20 0.53
MAPK1 P28482 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALOX12 P18054 4/20 0.51
LMNA P02545 5/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 2/20 0.50
BCL6 P41182 1/20 0.49
TAAR1 Q96RJ0 3/20 0.49
DUSP3 P51452 2/20 0.49
PTPN11 Q06124 2/20 0.49
PTPN7 P35236 1/20 0.49
PTPN5 P54829 1/20 0.49

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
SCHEMBL2768892 0.90 KMT2A (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL2769999 0.88 MAOB (0.54) RAB9AMAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL2770582 0.84 KMT2A (0.51) SMN1; SMN2ALDH1A1ALOX12LMNAMAPT
SCHEMBL2768300 0.81 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4EALOX12LMNA
SCHEMBL2769003 0.81 PKM (0.53) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL2768260 0.79 MEN1 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2767616 0.78 KMT2A (0.57) RAB9AMAOBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2768824 0.78 SMN1; SMN2 (0.57) MAOAMAOBSMN1; SMN2ALDH1A1ALOX12
SCHEMBL2769319 0.77 ALDH1A1 (0.55) RAB9ANPC1MAOAMAOBSMN1; SMN2
SCHEMBL2771152 0.77 MEN1 (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1MAPK1

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 RAB9A 3127/4885NPC1 2230/4885MAOA 1116/4885

“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.