SCHEMBL16631923

SCHEMBL16631923

Cc1cn2c(C)cc(=O)[nH]c2nc1=S

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 5/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.35
LPO P22079 1/20 0.35
PTGS1 P23219 1/20 0.35
TP53 P04637 3/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
SLC11A2 P49281 1/20 0.34
HPGD P15428 2/20 0.33
GFER P55789 1/20 0.33
GSK3B P49841 1/20 0.32
KMT2A Q03164 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
SCHEMBL16631914 0.84 ALDH1A1 (0.34) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL18080560 0.83 ALDH1A1 (0.38) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL18081975 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL16631916 0.74 KDM4E (0.41) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL18081793 0.73 KDM4E (0.35) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL18080556 0.73 KDM4E (0.40) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL16631919 0.72 CRBN (0.34) NPC1RAB9A
SCHEMBL16631446 0.71 CDK1 (0.42) KDM4ESMN1; SMN2LMNACYP1A2
SCHEMBL18081777 0.71 KDM4E (0.33) ALDH1A1KDM4E
SCHEMBL16631752 0.71 KDM4E (0.33) ALDH1A1KDM4E

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 ALDH1A1 4189/4885KDM4E 4689/4885GAA 973/4885

“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.