SCHEMBL2768044

SCHEMBL2768044

O=C(Nc1ccccc1F)N(S)c1noc2ccc(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
NPC1 O15118 4/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
TP53 P04637 1/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.37
FAAH O00519 1/20 0.37
KDM4E B2RXH2 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
CASP6 P55212 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GABRP O00591 1/20 0.35

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
SCHEMBL2768777 0.85 KMT2A (0.42) RAB9AMEN1KMT2ANPC1HTT
SCHEMBL2770371 0.77 MAPT (0.42) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL2767906 0.76 HIF1A (0.47) RAB9AMEN1KMT2ANPC1HTT
SCHEMBL2768041 0.73 ALDH1A1 (0.53) RAB9AMEN1KMT2ANPC1HTT
SCHEMBL2772191 0.72 HIF1A (0.60) RAB9AMEN1KMT2ANPC1HTT
SCHEMBL2768263 0.72 EPHX2 (0.49) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL2770757 0.72 EPHX2 (0.52) RAB9AMEN1KMT2ANPC1HTT
SCHEMBL2769745 0.70 RAB9A (0.43) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL2771191 0.70 SMN1; SMN2 (0.50) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL2769370 0.70 MAPT (0.41) KMT2AMAPTRECQL

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 RAB9A 3127/4885MEN1 3801/4885KMT2A 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.