SCHEMBL2769999

SCHEMBL2769999

S=C(NCc1ccccc1)Nc1noc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.54
MAOA P21397 1/20 0.54
ALOX12 P18054 3/20 0.53
HPGD P15428 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 3/20 0.51
GAA P10253 2/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
EPHX2 P34913 1/20 0.48
LMNA P02545 2/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
CA9 Q16790 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PKM P14618 1/20 0.47

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
SCHEMBL2767616 0.89 KMT2A (0.57) MAOBALOX12HPGDALDH1A1MAPT
SCHEMBL2768824 0.89 SMN1; SMN2 (0.57) MAOBMAOAALOX12ALDH1A1MAPT
SCHEMBL2768095 0.88 RAB9A (0.55) MAOBMAOAALOX12HPGDALDH1A1
SCHEMBL2768300 0.84 SMN1; SMN2 (0.48) ALOX12HPGDALDH1A1MAPTGAA
SCHEMBL2773293 0.82 HPGD (0.51) MAOBMAOAALOX12HPGDALDH1A1
SCHEMBL2770582 0.82 KMT2A (0.51) ALOX12ALDH1A1MAPTGAAKMT2A
SCHEMBL2769319 0.81 ALDH1A1 (0.55) MAOBMAOAALDH1A1MAPTGAA
SCHEMBL2768811 0.81 ALDH1A1 (0.61) ALOX12HPGDALDH1A1MAPTGAA
SCHEMBL2771152 0.81 MEN1 (0.52) ALDH1A1MAPTGAAPOLBMEN1
SCHEMBL2769781 0.80 ALDH1A1 (0.46) ALDH1A1MAPTGAAKMT2AEPHX2

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 MAOB 1172/4885MAOA 1116/4885ALOX12 3349/4885

“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.