SCHEMBL2773318

SCHEMBL2773318

COc1cccc2onc(NC(=S)Nc3ccccc3Cl)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
KCNA5 P22460 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 4/20 0.45
GAA P10253 4/20 0.45
HTT P42858 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.44
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.42
IDO1 P14902 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MIF P14174 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2769782 0.91 HPGD (0.52) KDM4EKCNA5KMT2AALDH1A1GAA
SCHEMBL2768871 0.84 ALDH1A1 (0.55) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL2767921 0.81 ALDH1A1 (0.60) KDM4ENPSR1ALDH1A1GAALMNA
SCHEMBL2767521 0.80 NPSR1 (0.44) KDM4ENPSR1MEN1KMT2AALDH1A1
SCHEMBL2769351 0.80 KDM4E (0.48) KDM4EKCNA5KMT2AALDH1A1GAA
SCHEMBL2438795 0.78 SMN1; SMN2 (0.56) KDM4EKCNA5NPSR1MEN1KMT2A
SCHEMBL2772189 0.78 HIF1A (0.58) KDM4ENPSR1MEN1KMT2AALDH1A1
SCHEMBL2769617 0.77 KDR (0.53) KCNA5NPSR1MEN1KMT2AALDH1A1
SCHEMBL2770313 0.77 RAB9A (0.58) KDM4EKCNA5MEN1KMT2AALDH1A1
SCHEMBL2768861 0.76 KCNA5 (0.48) KCNA5NPSR1MEN1KMT2AALDH1A1

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 KDM4E 276/4885KCNA5 38/4885NPSR1 561/4885

“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.