SCHEMBL2769810

SCHEMBL2769810

N#Cc1ccc(NC(=S)Nc2noc3cc(Cl)ccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.48
IDO1 P14902 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
NLRP3 Q96P20 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.42
HTR3A P46098 3/20 0.40
CHRNA7 P36544 2/20 0.40
DHODH Q02127 2/20 0.39
ALDH1A1 P00352 3/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPIA P62937 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
SCHEMBL2768955 0.84 MAOB (0.52) MAPTLMNAHTR3ACHRNA7ALDH1A1
SCHEMBL2769295 0.81 PPIA (0.47) MAPTHTTALDH1A1KDM4EMEN1
SCHEMBL2785764 0.76 ABCC9 (0.45) ABCC9IDO1TDP1MAPTLMNA
SCHEMBL2768640 0.74 MAPT (0.50) IDO1MAPTALDH1A1MEN1KMT2A
SCHEMBL2768556 0.74 RAB9A (0.50) TDP1MAPTLMNAALDH1A1KDM4E
SCHEMBL2767526 0.74 ALDH1A1 (0.53) IDO1MAPTHTTHTR3ACHRNA7
SCHEMBL2769812 0.73 TDP1 (0.45) ABCC9IDO1TDP1MAPTLMNA
SCHEMBL2767338 0.73 KMT2A (0.52) TDP1MAPTLMNATSHRALDH1A1
SCHEMBL5449567 0.71 IDO1 (0.78) ABCC9IDO1MAPTLMNATSHR
SCHEMBL2770589 0.71 MAPT (0.53) TDP1MAPTLMNAHTTHTR3A

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 ABCC9 542/4885IDO1 1680/4885TDP1 3167/4885

“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.