SCHEMBL2768960

SCHEMBL2768960

O=C(Nc1ccc(F)cc1)N(S)c1noc2cc(Cl)ccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.41
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
GRIK1 P39086 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL2769812 0.86 TDP1 (0.45) KMT2AALDH1A1RAB9AHIF1AMEN1
SCHEMBL2769297 0.86 NPC1 (0.45) KMT2AALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL2771191 0.83 SMN1; SMN2 (0.50) KMT2AALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL2768643 0.81 HIF1A (0.49) KMT2AALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL2770593 0.75 RAB9A (0.44) KMT2AALDH1A1RAB9ANPC1HIF1A
SCHEMBL2769321 0.73 HIF1A (0.56) ALDH1A1SMN1; SMN2RAB9ANPC1HIF1A
SCHEMBL2769745 0.72 RAB9A (0.43) KMT2AALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL2768955 0.71 MAOB (0.52) KMT2AALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL2770662 0.71 EPHX2 (0.52) RAB9ANPC1HIF1A
SCHEMBL2769009 0.71 NPC1 (0.47) KMT2AALDH1A1SMN1; SMN2RAB9ANPC1

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 P2RX1 159/4885KMT2A 197/4885ALDH1A1 1965/4885

“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.