SCHEMBL2769351

SCHEMBL2769351

COc1ccccc1NC(=S)Nc1noc2cccc(N(C)C)c12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALOX12 P18054 2/20 0.46
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
NSD2 O96028 1/20 0.44
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.42
IDO1 P14902 1/20 0.41
KCNA5 P22460 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
SCHEMBL2769782 0.89 HPGD (0.52) KDM4EMAPTHPGDSMN1; SMN2ALOX12
SCHEMBL2770493 0.84 ALDH1A1 (0.47) KDM4EMAPTHPGDSMN1; SMN2ALOX12
SCHEMBL2770798 0.83 ALDH1A1 (0.43) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL2769966 0.82 MAPT (0.49) MAPTSMN1; SMN2HIF1AKMT2AIDO1
SCHEMBL2768714 0.81 CYP1A2 (0.48) KDM4EMAPTHPGDSMN1; SMN2HIF1A
SCHEMBL2773318 0.80 KDM4E (0.49) KDM4EHPGDSMN1; SMN2ALOX12HIF1A
SCHEMBL2767863 0.77 RAB9A (0.49) KDM4EMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL2767921 0.77 ALDH1A1 (0.60) KDM4EMAPTHPGDSMN1; SMN2ALOX12
SCHEMBL2771736 0.77 MEN1 (0.51) KDM4EMAPTSMN1; SMN2ALOX12ALDH1A1
SCHEMBL2768385 0.76 ABL1 (0.42) KDM4EMAPTHPGDSMN1; SMN2ALOX12

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 276/4885MAPT 2492/4885HPGD 2090/4885

“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.