SCHEMBL2770643

SCHEMBL2770643

COc1ccc(NC(=O)N(S)c2noc3cc(Br)ccc23)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 1/20 0.41
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRNP P04156 1/20 0.40
KLK7 P49862 1/20 0.39
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2768548 0.86 MAPT (0.51) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL2769848 0.76 MAPT (0.61) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL2769297 0.75 NPC1 (0.45) MAPTKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL2770639 0.74 MAPT (0.50) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL2767906 0.74 HIF1A (0.47) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL2770371 0.73 MAPT (0.42) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL2768643 0.73 HIF1A (0.49) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL2768960 0.69 P2RX1 (0.41) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL2769009 0.67 NPC1 (0.47) MAPTKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL2784161 0.67 STK17B (0.41) MAPTALDH1A1CYP1A2CYP2C19HSD17B10

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 MAPT 2492/4885KMT2A 197/4885MEN1 3801/4885

“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.