SCHEMBL16998618

SCHEMBL16998618

Cc1cc(C)nc(SCc2cscn2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
ATM Q13315 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 2/20 0.47
RCE1 Q9Y256 1/20 0.47
HTT P42858 1/20 0.45
MAPK1 P28482 2/20 0.43
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
POLB P06746 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL858956 0.91 ALDH1A1 (0.48) ALDH1A1ATMSMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL859674 0.90 ALDH1A1 (0.47) ALDH1A1ATMSMN1; SMN2MAPTLMNA
SCHEMBL16998591 0.75 ALDH1A1 (0.71) ALDH1A1ATMSMN1; SMN2MAPTLMNA
SCHEMBL13066825 0.70 ALDH1A1 (0.49) ALDH1A1ATMSMN1; SMN2MAPTLMNA
SCHEMBL16998608 0.69 KDM4E (0.52) ALDH1A1ATMSMN1; SMN2MAPTLMNA
SCHEMBL22296555 0.68 SLC6A3 (0.47) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL21393293 0.67
SCHEMBL16998661 0.67 PDE10A (0.50) ALDH1A1ATMSMN1; SMN2MAPTLMNA
SCHEMBL859441 0.67 ALDH1A1 (0.60) ALDH1A1ATMSMN1; SMN2MAPTLMNA
SCHEMBL13066852 0.67 LMNA (0.49) ALDH1A1ATMSMN1; SMN2MAPTLMNA

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 ALDH1A1 577/4885ATM 4485/4885SMN1; SMN2 741/4885

“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.