SCHEMBL17868772

SCHEMBL17868772

Cc1ncsc1CC[C]=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
KDM4E B2RXH2 2/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
SLC6A3 Q01959 1/20 0.40
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 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
SCHEMBL2642153 0.78
SCHEMBL7363330 0.77 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL680649 0.75
SCHEMBL8011142 0.74
SCHEMBL259480 0.74
Clomethiazole SCHEMBL35223 0.74
SCHEMBL3091821 0.74
SCHEMBL16697499 0.74
SCHEMBL5871890 0.74
SCHEMBL850697 0.73 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1KDM4ELMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160184281-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-06-30 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-20160184281-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT ALDH1A1 1573/4885KMT2A 2175/4885MEN1 2691/4885

“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.