SCHEMBL2767445

SCHEMBL2767445

Fc1cccc2c(NC(=S)NCCN3CCOCC3)noc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 4/20 0.55
GAA P10253 2/20 0.52
ALDH1A1 P00352 1/20 0.52
RECQL P46063 1/20 0.51
KDM4C Q9H3R0 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
MAPT P10636 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2768767 0.94 CYP3A4 (0.58) KDM4EKMT2AHTTMEN1LMNA
SCHEMBL2768768 0.80 SMN1; SMN2 (0.44) KMT2AHTTLMNAGAAALDH1A1
SCHEMBL2785042 0.78 ALDH1A1 (0.43) LMNAALDH1A1CYP2C19SMN1; SMN2
SCHEMBL2770774 0.77 ALDH1A1 (0.50) KMT2ALMNAGAAALDH1A1MAPT
SCHEMBL2770294 0.77 SMN1; SMN2 (0.50) KMT2AHTTMEN1LMNAGAA
SCHEMBL2785664 0.77 ALDH1A1 (0.46) KDM4ELMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL2769700 0.76 SMN1; SMN2 (0.49) KMT2AHTTMEN1LMNAGAA
SCHEMBL2769899 0.76 SMN1; SMN2 (0.49) KMT2AHTTMEN1LMNAGAA
SCHEMBL2767451 0.75 ALDH1A1 (0.48) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL2767478 0.74 KMT2A (0.53) KMT2ALMNAGAAALDH1A1RECQL

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 276/4885KMT2A 197/4885HTT 2333/4885

“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.