SCHEMBL2768871

SCHEMBL2768871

COc1ccc(Cl)cc1NC(=S)Nc1noc2cccc(OC)c12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
GAA P10253 4/20 0.55
KMT2A Q03164 6/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 4/20 0.51
MAPT P10636 3/20 0.51
POLB P06746 1/20 0.49
TP53 P04637 1/20 0.48
HPGD P15428 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.47
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46

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 0.86 HPGD (0.52) ALDH1A1GAAKMT2ALMNAKDM4E
SCHEMBL2773318 0.84 KDM4E (0.49) ALDH1A1GAAKMT2ALMNAKDM4E
SCHEMBL2767921 0.81 ALDH1A1 (0.60) ALDH1A1GAALMNAKDM4EMAPT
SCHEMBL2770313 0.80 RAB9A (0.58) ALDH1A1GAAKMT2ALMNAKDM4E
SCHEMBL28401841 0.77 ALDH1A1 (0.82) ALDH1A1GAAKMT2ALMNAKDM4E
SCHEMBL30362713 0.77 ALDH1A1 (0.82) ALDH1A1GAAKMT2ALMNAKDM4E
SCHEMBL6922784 0.77 SGMS2 (0.57) ALDH1A1KMT2ALMNAKDM4EMEN1
SCHEMBL2769351 0.76 KDM4E (0.48) ALDH1A1GAAKMT2ALMNAKDM4E
SCHEMBL2769617 0.76 KDR (0.53) ALDH1A1GAAKMT2ALMNAMEN1
SCHEMBL2785082 0.75 NPC1 (0.55) ALDH1A1KMT2ALMNAKDM4EMEN1

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 ALDH1A1 1965/4885GAA 3898/4885KMT2A 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.