SCHEMBL18655795

SCHEMBL18655795

c1cc(SCCCSc2ccncc2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
HIF1A Q16665 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
DDAH1 O94760 1/20 0.50
NOS1 P29475 1/20 0.50
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 1/20 0.43
MIF P14174 1/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.39
GRM2 Q14416 2/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL14093836 0.89 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL424824 0.86 MAOA (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6215228 0.86 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7814326 0.86 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4685850 0.86 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8616117 0.86 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4685854 0.86 CA2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4681710 0.84 CA2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8616072 0.84 HRH1 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8617893 0.84 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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-10040819-B2 Chemically modifying peptides THE UNIVERSITY OF DURHAM (GB) 2018-08-07 US disclosed
US-20170081360-A1 Chemically Modifying Peptides THE UNIVERSITY OF DURHAM (GB) 2017-03-23 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 (2 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-10040819-B2 Chemically modifying peptides PTMS, DNPEP, NGLY1 CYP1A2 4697/4885CYP3A4 3756/4885CYP2D6 4011/4885
US-20170081360-A1 Chemically Modifying Peptides PTMS, DNPEP, NGLY1 CYP1A2 4697/4885CYP3A4 3756/4885CYP2D6 4011/4885

“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.