SCHEMBL20108979

SCHEMBL20108979

CC(=O)c1cc(C(C)C)nn1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 2/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
PDE2A O00408 2/20 0.36
PHGDH O43175 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL316007 0.84 ALDH1A1 (0.57) ALDH1A1GAAKDM4EGRNSORT1
SCHEMBL17076723 0.82 ALDH1A1 (0.44) ALDH1A1GAAKDM4EGRNSORT1
Hydrochloric Acid SCHEMBL31467467 0.82 ALDH1A1 (0.56) ALDH1A1GAAKDM4EGRNSORT1
SCHEMBL20441139 0.79 KDM4E (0.42) ALDH1A1GAAKDM4EGRNSORT1
SCHEMBL20113280 0.79 ALDH1A1 (0.41) ALDH1A1GAAKDM4EGRNSORT1
SCHEMBL19357273 0.75 LMNA (0.49) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL16450837 0.75 KDM4E (0.40) KDM4EGRNSORT1SMN1; SMN2MEN1
SCHEMBL12011418 0.75 MEN1 (0.42) ALDH1A1KDM4EGRNSORT1SMN1; SMN2
SCHEMBL334463 0.75 SMN1; SMN2 (0.47) ALDH1A1GAAKDM4EGRNSORT1
SCHEMBL18719698 0.74 ALDH1A1 (0.37) ALDH1A1GAAKDM4EGRNSORT1

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
US-20180118679-A1 N-Methyl Pyrazoles Prosetta Antiviral ,Inc. 2018-05-03 US disclosed
US-20180118679-A1 N-Methyl Pyrazoles Prosetta Antiviral ,Inc. 2018-05-03 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-20180118679-A1 N-Methyl Pyrazoles ZC3HAV1, MAVS, NNMT ALDH1A1 3967/4885GAA 1647/4885KDM4E 472/4885

“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.