SCHEMBL14973105

SCHEMBL14973105

Cn1ncc(C(N)=NO)c1COc1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
PAX8 Q06710 1/20 0.41
MAOB P27338 7/20 0.41
AOC3 Q16853 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.38
DHODH Q02127 1/20 0.37
HMOX1 P09601 1/20 0.36
GRM4 Q14833 1/20 0.36
NSD2 O96028 1/20 0.35
NSD3 Q9BZ95 1/20 0.35
FLT3 P36888 1/20 0.35
NOS1 P29475 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
SCHEMBL14972951 0.82 MAOB (0.52) MAPTMAOBALDH1A1DHODHGRM4
SCHEMBL14972954 0.82 KDM4C (0.47) MAOBALDH1A1GRM4FLT3
SCHEMBL14972953 0.81 ALDH1A1 (0.52) MAPTMAOBALDH1A1DHODHGRM4
SCHEMBL14973071 0.81 PDE2A (0.39) MAPTPAX8MAOBNPSR1
SCHEMBL14973018 0.80 MAOB (0.44) MAOBALDH1A1DHODHGRM4FLT3
SCHEMBL14973189 0.80 MAOB (0.42) MAPTMAOBALDH1A1DHODHGRM4
SCHEMBL14973102 0.79 HMOX1 (0.38) MAOBALDH1A1HMOX1GRM4FLT3
SCHEMBL14973190 0.78 SLC6A5 (0.43) MAPTMAOBALDH1A1GRM4FLT3
SCHEMBL14972952 0.78 MAPT (0.52) MAPTMAOBALDH1A1
Hydrochloric Acid SCHEMBL14973129 0.77 SLC6A5 (0.42) MAPTMAOBALDH1A1GRM4FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2604602-A1 HETEROARYL-PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-06-19 EP disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 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-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE GRIN2C, GRIN2B, GRIN3A MAPT 129/4885PAX8 4514/4885MAOB 1115/4885

“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.