SCHEMBL2773293

SCHEMBL2773293

S=C(NCc1ccccc1)Nc1noc2cccc(Cl)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
LMNA P02545 3/20 0.51
MAOB P27338 2/20 0.51
PLA2G1B P04054 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAOA P21397 1/20 0.47
GAA P10253 2/20 0.46
ALOX12 P18054 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.43
PTPN7 P35236 1/20 0.43
DUSP3 P51452 1/20 0.43

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
SCHEMBL2769680 0.82 MAOB (0.44) HPGDLMNAMAOBPLA2G1BATG4B
SCHEMBL2769999 0.82 MAOB (0.54) HPGDLMNAMAOBPLA2G1BATG4B
SCHEMBL2767616 0.78 KMT2A (0.57) HPGDLMNAMAOBPLA2G1BATG4B
SCHEMBL2770313 0.78 RAB9A (0.58) HPGDLMNAMAPTGAAALOX12
SCHEMBL2771584 0.76 HTT (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL2767521 0.76 NPSR1 (0.44) HPGDLMNAMAPTNPSR1GAA
SCHEMBL2773297 0.73 TP53 (0.41) NPSR1GAAALDH1A1SMN1; SMN2
SCHEMBL2438041 0.73 TP53 (0.54) LMNAMAOBMAPTMEN1KMT2A
SCHEMBL2768824 0.72 SMN1; SMN2 (0.57) LMNAMAOBPLA2G1BATG4BMAPT
SCHEMBL2767902 0.72 ESR1 (0.44) MAPTGAAALOX12ALDH1A1MEN1

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 HPGD 2090/4885LMNA 1716/4885MAOB 1172/4885

“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.