SCHEMBL2769049

SCHEMBL2769049

CCOC(=O)c1ccccc1NC(=S)Nc1noc2cccc(N(C)C)c12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 8/20 0.43
TSHR P16473 3/20 0.43
MAPK10 P53779 1/20 0.43
KDM4E B2RXH2 6/20 0.43
HSD17B10 Q99714 3/20 0.43
LMNA P02545 4/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
TP53 P04637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2770493 0.90 ALDH1A1 (0.47) RAB9AALDH1A1KDM4EHSD17B10LMNA
SCHEMBL2769603 0.84 ALDH1A1 (0.55) RAB9AALDH1A1KDM4ELMNAPOLB
SCHEMBL2769052 0.83 TSHR (0.39) RAB9AALDH1A1TSHRMAPK10KDM4E
SCHEMBL2769351 0.79 KDM4E (0.48) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL2768888 0.79 ALDH1A1 (0.36) RAB9AALDH1A1KDM4ELMNAPOLB
SCHEMBL2768525 0.78 LTC4S (0.35) RAB9AALDH1A1TSHRKMT2A
SCHEMBL2770798 0.78 ALDH1A1 (0.43) RAB9AALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL2768563 0.75 MAPT (0.52) RAB9AALDH1A1KDM4ELMNAPOLB
SCHEMBL2771736 0.75 MEN1 (0.51) RAB9AALDH1A1KDM4ELMNAPOLB
SCHEMBL2771028 0.74 RAB9A (0.52) RAB9AALDH1A1KDM4ELMNAGAA

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 3127/4885ALDH1A1 1965/4885TSHR 4442/4885

“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.