SCHEMBL16631914

SCHEMBL16631914

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LPO P22079 1/20 0.33
PTGS1 P23219 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
HPGD P15428 2/20 0.32
GFER P55789 1/20 0.32
TP53 P04637 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL16631921 0.84 KDM4E (0.36) ALDH1A1KDM4EGAASMN1; SMN2NPC1
SCHEMBL16631923 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EGAASMN1; SMN2LPO
SCHEMBL18080559 0.82 CHEK1 (0.31)
SCHEMBL18081942 0.75 ALDH1A1 (0.36) ALDH1A1KDM4ERAB9AHPGD
SCHEMBL18081777 0.75 KDM4E (0.33) ALDH1A1KDM4E
SCHEMBL16631752 0.75 KDM4E (0.33) ALDH1A1KDM4E
SCHEMBL18080557 0.73 CHEK1 (0.33)
SCHEMBL18081793 0.71 KDM4E (0.35) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL16631919 0.70 CRBN (0.34) NPC1RAB9A
SCHEMBL16631487 0.69 MAPT (0.41) KDM4ESMN1; SMN2

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.