SCHEMBL855997

SCHEMBL855997

CCCCCCCOc1ccc(NCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.58
LTA4H P09960 3/20 0.57
FAAH O00519 6/20 0.56
MEN1 O00255 1/20 0.55
TP53 P04637 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
BLM P54132 1/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 1/20 0.55
HTT P42858 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL9309140 0.94 CACNA1B (0.58) CACNA1BLTA4HFAAHMEN1TP53
SCHEMBL6394149 0.87 CACNA1B (0.50) CACNA1BMEN1KMT2A
SCHEMBL30285982 0.86 CACNA1B (0.51) CACNA1BLTA4HFAAHHRH3
SCHEMBL9164953 0.85 NR5A1 (0.51) CACNA1BFAAHMEN1KMT2A
SCHEMBL854985 0.85 MEN1 (0.57) CACNA1BMEN1GAAMAPTKMT2A
SCHEMBL11255447 0.84 TP53 (0.72) TP53HTT
SCHEMBL11254732 0.84 TP53 (0.72) TP53HTT
SCHEMBL11259089 0.84 TP53 (0.72) TP53HTT
SCHEMBL9307764 0.84 ALDH1A1 (0.58) LTA4HFAAHTP53GAAMAPT
SCHEMBL855509 0.84 MAPT (0.65) LTA4HMEN1TP53GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 EP disclosed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 EP disclosed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 US disclosed
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 US disclosed
EP-1308438-A1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-07 EP 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-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 CACNA1B 4309/4885LTA4H 166/4885FAAH 1605/4885

“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.