SCHEMBL13351422

SCHEMBL13351422

CCOC(O)N1CCC(n2c(SC)nc3cc(F)ccc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ PKM P14618 2/20 0.41
▸ HTT P42858 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CPT1A P50416 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ UBE2N P61088 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CCR3 P51677 2/20 0.38
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ USP2 O75604 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK14 Q16539 1/20 0.34

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
SCHEMBL13319018 0.81 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1PKMHTTALDH1A1
SCHEMBL13319013 0.75 CCR3 (0.60) SMN1; SMN2MAPK1PKMHTTALDH1A1
SCHEMBL14095259 0.73 SMN1; SMN2 (0.44) SMN1; SMN2HTTALDH1A1USP2
SCHEMBL27351545 0.69 HTT (0.44) SMN1; SMN2MAPK1PKMHTTALDH1A1
SCHEMBL13351452 0.69 SMN1; SMN2 (0.45) SMN1; SMN2MAPK1PKMHTTALDH1A1
SCHEMBL13319459 0.67 HTT (0.40) SMN1; SMN2MAPK1HTTALDH1A1KDM4E
SCHEMBL13319458 0.67 CYP3A4 (0.41) SMN1; SMN2MAPK1HTTALDH1A1KDM4E
SCHEMBL13319042 0.67 SMN1; SMN2 (0.49) SMN1; SMN2MAPK1PKMHTTALDH1A1
SCHEMBL14469157 0.67 CYP3A4 (0.53) SMN1; SMN2MAPK1HTTALDH1A1KDM4E
SCHEMBL13319282 0.67 CYP3A4 (0.51) SMN1; SMN2MAPK1

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-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 — — 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-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GK, GCK SMN1; SMN2 1534/4885MAPK1 2152/4885PKM 259/4885

“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.

Send feedback