SCHEMBL22640100

SCHEMBL22640100

Nc1cc(=O)[nH]c(SCCOc2ccc(Cl)cc2)n1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.77
GAA P10253 1/20 0.77
ALDH1A1 P00352 3/20 0.68
MAPT P10636 2/20 0.68
TSHR P16473 1/20 0.68
LMNA P02545 4/20 0.63
SCN9A Q15858 4/20 0.63
NPC1 O15118 2/20 0.59
TP53 P04637 2/20 0.59
RAB9A P51151 2/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
AR P10275 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.53
USP2 O75604 1/20 0.53
SCN5A Q14524 1/20 0.51

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
SCHEMBL24191085 0.72 SCN9A (0.78) KDM4EGAAALDH1A1LMNASCN9A
SCHEMBL22640171 0.72 RAB9A (0.61) KDM4EALDH1A1MAPTTSHRLMNA
SCHEMBL5114943 0.72 AR (1.00) ALDH1A1MAPTLMNANPC1TP53
SCHEMBL5112528 0.71 AR (0.70) ALDH1A1MAPTTSHRLMNANPC1
SCHEMBL25199199 0.70 SCN9A (0.89) KDM4ESCN9ASMN1; SMN2SCN5A
SCHEMBL489736 0.69 KMT2A (1.00) TSHRLMNASCN9ARAB9AL3MBTL1
SCHEMBL15575015 0.69 SCN9A (0.59) KDM4EGAAALDH1A1LMNASCN9A
SCHEMBL15707843 0.69 SMN1; SMN2 (0.76) GAAALDH1A1MAPTLMNANPC1
SCHEMBL3751093 0.68 MAPT (0.53) KDM4EGAAALDH1A1MAPTTSHR
SCHEMBL5499447 0.68 AR (0.67) GAAALDH1A1MAPTTSHRLMNA

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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 KDM4E 4343/4885GAA 2575/4885ALDH1A1 1636/4885

“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.