SCHEMBL21725675

SCHEMBL21725675

CC(CNC1CCCCC1)CO[C@H]1CC[C@@H](NCS)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
HTT P42858 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ANPEP P15144 2/20 0.33
ERAP2 Q6P179 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR1A P08908 1/20 0.31
BCHE P06276 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL22764076 0.89 KDM4E (0.42) KDM4ELMNACYP1A2CYP2D6SCN1A
SCHEMBL9407491 0.73 KDM4E (0.60) KDM4ELMNACYP1A2CYP2D6SCN1A
SCHEMBL12912953 0.71
SCHEMBL2648165 0.69 ALDH1A1 (0.44) KDM4ECYP1A2HTTMEN1KMT2A
SCHEMBL2648163 0.69 ALDH1A1 (0.44) KDM4ECYP1A2HTTMEN1KMT2A
SCHEMBL14018834 0.69
SCHEMBL24010757 0.68 KDM4E (0.48) KDM4ELMNACYP1A2CYP2D6SCN1A
SCHEMBL12920256 0.68 SHBG (0.38) KDM4ELMNAHTTMEN1KMT2A
SCHEMBL7775262 0.68 KDM4E (0.54) KDM4ELMNACYP1A2CYP2D6SCN1A
SCHEMBL14612175 0.68 KDM4E (0.54) KDM4ELMNACYP1A2CYP2D6SCN1A

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-10562893-B2 Benzimidazoles derivatives as Tec kinases family inhibitors GB005, INC. (US) 2020-02-18 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-10562893-B2 Benzimidazoles derivatives as Tec kinases family inhibitors BMX, TEC, BTK KDM4E 2460/4885LMNA 3242/4885CYP1A2 3567/4885

“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.