SCHEMBL20133962

SCHEMBL20133962

Nc1ccc(NCc2nccs2)cc1N=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 1/20 0.50
CYP2C19 P33261 1/20 0.41
MAP3K8 P41279 1/20 0.36
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
PTGS2 P35354 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
DNMT1 P26358 1/20 0.33
ALOX12 P18054 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
GCK P35557 1/20 0.32
PTPN11 Q06124 2/20 0.32
PTPN1 P18031 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
PSMD14 O00487 1/20 0.31

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
SCHEMBL17749206 0.77 TRPM5 (0.48) TRPM5CYP2C19DNMT1GAA
SCHEMBL20133924 0.76 L3MBTL1 (0.50) CYP2C19ALOX12PTPN11PTPN1GAA
SCHEMBL6297758 0.75 CYP2C19 (0.57) TRPM5CYP2C19MAP3K8KDM1AMAOB
Hydrochloric Acid SCHEMBL6297635 0.74 CYP2C19 (0.56) TRPM5CYP2C19MAP3K8KDM1AMAOB
SCHEMBL5692948 0.73 TRPM5 (0.52) TRPM5CYP2C19MAP3K8KDM1AMAOB
Hydrochloric Acid SCHEMBL5850699 0.72 TRPM5 (0.51) TRPM5CYP2C19MAP3K8KDM1AMAOB
SCHEMBL7953745 0.70 LOXL2 (0.51) TRPM5CYP2C19MAP3K8KDM1AMAOB
SCHEMBL17761391 0.69 KCNQ2 (0.62) TRPM5CYP2C19PTGS2
SCHEMBL2718512 0.69 MAOB (0.55) TRPM5CYP2C19KDM1AMAOBTLR7
SCHEMBL28866138 0.68 ALDH1A1 (0.36) CYP2C19GAAABL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-10 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-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES HRH4, H1-10, HDAC10 TRPM5 3215/4885CYP2C19 739/4885MAP3K8 3321/4885

“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.