SCHEMBL5455954

SCHEMBL5455954

COC(=S)Nc1ccncc1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 2/20 0.42
IL2 P60568 1/20 0.41
KDM4E B2RXH2 5/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
NSD2 O96028 1/20 0.37
GAA P10253 1/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36

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
SCHEMBL11918912 0.80 MAPT (0.46) ALDH1A1MAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL15432258 0.79 HPGD (0.49) ALDH1A1MAPTSMN1; SMN2KMT2AIL2
SCHEMBL1043517 0.76 KDM4C (0.46) ALDH1A1MAPTKMT2AIL2NPC1
SCHEMBL4139383 0.74 ALDH1A1 (0.55) ALDH1A1KMT2AIL2NPC1
SCHEMBL2107971 0.73 NAMPT (0.48) IL2
SCHEMBL17655428 0.73 SIRT3 (0.50) ALDH1A1MAPTSMN1; SMN2KMT2AIL2
SCHEMBL21870351 0.70 RAB9A (0.60) MAPTSMN1; SMN2KMT2AKDM4ENPC1
SCHEMBL16303157 0.70 MDM4 (0.46) MAPTSMN1; SMN2NPC1LMNA
SCHEMBL19151050 0.70 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL5455951 0.70 IL2 (0.40) ALDH1A1IL2NPC1LMNAIKBKE

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-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 ALDH1A1 731/4885MAPT 758/4885SMN1; SMN2 4424/4885

“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.