SCHEMBL20306004

SCHEMBL20306004

COC(=O)c1ccc(N)nc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
GAA P10253 6/20 0.49
KDM4E B2RXH2 6/20 0.49
HPGD P15428 4/20 0.49
MAPT P10636 4/20 0.49
HSD17B10 Q99714 3/20 0.49
GLA P06280 3/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49
CFTR P13569 2/20 0.48
ABL1 P00519 2/20 0.47
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47

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
SCHEMBL510468 0.85 ABL1 (0.53) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL1266209 0.83 KDM4E (0.54) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL22288456 0.83 GAA (0.51) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL29942878 0.83 KDM4E (0.54) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL4770167 0.83 GABRP (0.65) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL14956928 0.83 ALDH1A1 (0.47) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL23797063 0.81 NNMT (0.53) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL2032206 0.81 ABL1 (0.53) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL15057962 0.81 ALDH1A1 (0.46) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL18555299 0.81 KDM4E (0.46) ALDH1A1GAAKDM4EHPGDMAPT

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-10005741-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-06-26 US disclosed
CN-101701031-A Polypeptide condensing agent and synthesis method thereof CHANGZHOU NANJING UNIVERSITY H 2010-05-05 CN 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-10005741-B2 Therapeutic compounds IAPP, PARK7, NLN ALDH1A1 854/4885GAA 50/4885KDM4E 3451/4885

“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.