SCHEMBL2770313

SCHEMBL2770313

COc1cccc2onc(NC(=S)NCc3ccc(Cl)cc3)c12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.58
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
GAA P10253 3/20 0.50
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
ALOX12 P18054 3/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
KCNA5 P22460 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL2768967 0.83 KCNA5 (0.56) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL2768871 0.80 ALDH1A1 (0.55) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL2767616 0.79 KMT2A (0.57) RAB9AMEN1KMT2AGAAMAPT
SCHEMBL2773293 0.78 HPGD (0.51) RAB9AMEN1KMT2AGAAMAPT
SCHEMBL2773318 0.77 KDM4E (0.49) RAB9AMEN1KMT2AGAAALDH1A1
SCHEMBL2770314 0.76 KCNA5 (0.42) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL2769782 0.76 HPGD (0.52) KMT2AGAAMAPTALDH1A1ALOX12
SCHEMBL2786203 0.74 MAPT (0.48) RAB9AMEN1KMT2AGAAMAPT
SCHEMBL2770032 0.73 ALDH1A1 (0.55) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL2769680 0.73 MAOB (0.44) RAB9AMEN1KMT2AGAAMAPT

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 3127/4885MEN1 3801/4885KMT2A 197/4885

“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.