SCHEMBL16998596

SCHEMBL16998596

Cc1cc(C)nc(SCn2nc(C)cc2C)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
GLA P06280 1/20 0.47
GLS O94925 1/20 0.46
RCE1 Q9Y256 1/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.43
APAF1 O14727 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL858849 0.90 LMNA (0.42) LMNAKDM4EALDH1A1GLAGLS
SCHEMBL10277607 0.77 ALDH1A1 (0.57) LMNAKDM4EALDH1A1GLAGLS
SCHEMBL266824 0.72 LMNA (0.70) LMNAKDM4EALDH1A1CYP1A2GAA
SCHEMBL16998703 0.70 LMNA (0.50) LMNAKDM4EALDH1A1RCE1GAA
SCHEMBL16998615 0.70 LMNA (0.46) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL859902 0.70
SCHEMBL94392 0.70
SCHEMBL17489160 0.69 GLS (0.75) LMNAKDM4EALDH1A1GLAGLS
SCHEMBL16447617 0.69 ALDH1A1 (0.64) LMNAKDM4EALDH1A1GLAGLS
Hydrochloric Acid SCHEMBL8660596 0.69 ALDH1A1 (0.57) LMNAKDM4EALDH1A1GLAGLS

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-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 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-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP LMNA 2913/4885KDM4E 3841/4885ALDH1A1 577/4885

“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.