SCHEMBL7119967

SCHEMBL7119967

COc1cccc2c1CCc1cnc([S+](C)[O-])nc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
IGF1R P08069 6/20 0.37
ACHE P22303 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
CYP19A1 P11511 1/20 0.36
MAPK10 P53779 1/20 0.36
RIPK1 Q13546 1/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AURKA O14965 1/20 0.34
CCNA2 P20248 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
SCHEMBL14090175 0.79 KDM4E (0.56) KDM4EALDH1A1MAPTHTTPOLB
SCHEMBL7515239 0.78 CCNA2 (0.44) NPC1RAB9AACHEKDM4EALDH1A1
SCHEMBL7127977 0.72 MAPK14 (0.39) NPC1RAB9AIGF1RACHEKDM4E
SCHEMBL7239285 0.71 KDR (0.63) IGF1RPLK1
SCHEMBL7127974 0.71 IGF1R (0.52) IGF1RAURKACCNA2CDK2PLK1
Hydrochloric Acid SCHEMBL7518134 0.71 KDR (0.62) IGF1RPLK1
SCHEMBL7510711 0.69 KDR (0.55) IGF1RAURKACCNA2CDK2PLK1
SCHEMBL7510604 0.69 KDR (0.52) IGF1RAURKACCNA2CDK2TTK
Hydrochloric Acid SCHEMBL7512667 0.69 KDR (0.54) IGF1RAURKACCNA2CDK2TTK
Hydrochloric Acid SCHEMBL7516479 0.68 KDR (0.51) IGF1RAURKACCNA2CDK2TTK

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-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 NPC1 310/4885RAB9A 1556/4885IGF1R 2519/4885

“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.