SCHEMBL7526205

SCHEMBL7526205

C=CCNCCCCCCc1ccc2c(ccn2-c2ccccc2Br)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
S1PR1 P21453 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SIGMAR1 Q99720 6/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
OXER1 Q8TDS5 1/20 0.30

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
SCHEMBL5735119 0.82 SIGMAR1 (0.38) SIGMAR1OXER1
SCHEMBL5736939 0.68 SIGMAR1 (0.36) SIGMAR1OXER1
SCHEMBL5736753 0.65 LSS (0.35) SIGMAR1
SCHEMBL31116761 0.64 BIRC5 (0.47) ALDH1A1
SCHEMBL6989379 0.64 BIRC5 (0.47) ALDH1A1
SCHEMBL3234147 0.62 SIGMAR1 (0.67) SIGMAR1
SCHEMBL5736626 0.61 KDM4E (0.42) CNR1CNR2KDM4EALDH1A1NPC1
SCHEMBL5736342 0.61 TAAR1 (0.41) S1PR1SIGMAR1OXER1
SCHEMBL8948245 0.61 SIGMAR1 (0.52) SIGMAR1
SCHEMBL16641037 0.60 BCHE (0.44) KDM4EALDH1A1SIGMAR1NPC1RAB9A

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-20020103247-A1 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. HOFFMANN-LA ROCHE INC. 2002-08-01 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-20020103247-A1 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. LSS, CYP51A1, DHCR7 CNR1 948/4885CNR2 494/4885S1PR1 2717/4885

“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.