SCHEMBL6078099

SCHEMBL6078099

O=C(Cc1cccc2ccc([S+]([O-])c3cnc[nH]3)cc12)NCC1CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
MTNR1A P48039 2/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
ROS1 P08922 1/20 0.34
RPS6KB1 P23443 1/20 0.34
CNR1 P21554 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6076617 0.79 CCNA2 (0.37) CCNA2CDK2CCNA1MTNR1AROCK2
SCHEMBL5350775 0.74 MTNR1A (0.51) MTNR1AALDH1A1NPC1KDM4EGLA
SCHEMBL5349751 0.73 MTNR1A (0.43) CCNA2CDK2CCNA1MTNR1AALDH1A1
SCHEMBL5341959 0.73 MEN1 (0.47) MTNR1AALDH1A1NPC1ROS1RPS6KB1
SCHEMBL8693941 0.71 MTNR1A (0.62) MTNR1AALDH1A1KDM4E
SCHEMBL5343073 0.68 MTNR1A (0.45) MTNR1AALDH1A1NPC1
SCHEMBL6075810 0.67 GHSR (0.44) MTNR1AALDH1A1NPC1MAPTKDM4E
SCHEMBL24821344 0.67 NPC1 (0.54) NPC1CNR1
SCHEMBL22275812 0.61 ROCK2 (0.47) ROCK2ROCK1ALDH1A1NPC1KDM4E
SCHEMBL1854450 0.60 NPY5R (0.61) ALDH1A1MAPTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7126012-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-24 US disclosed
US-7115752-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-03 US disclosed
US-20050059729-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-03-17 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-20050059729-A1 Substituted cyclic compounds CCNY, CCNT2, TECR CCNA2 5/4885CDK2 95/4885CCNA1 9/4885

“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.