SCHEMBL1468037

SCHEMBL1468037

CCCCc1ccc(N2Cc3ccc(N)cc3C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
PKM P14618 2/20 0.42
MCHR1 Q99705 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1A P35348 1/20 0.39
CNR2 P34972 2/20 0.38
COMT P21964 1/20 0.38
S1PR1 P21453 2/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
HTR6 P50406 1/20 0.37
CRBN Q96SW2 1/20 0.37

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
SCHEMBL1468580 0.95 FAAH (0.46) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL1468034 0.95 FAAH (0.46) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL1468655 0.92 NPC1 (0.43) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL1468412 0.90 NPC1 (0.42) ALDH1A1NPC1RAB9APKMMCHR1
SCHEMBL1468089 0.85 FAAH (0.46) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL1467554 0.85 FAAH (0.46) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL1467991 0.83 TNF (0.49) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL1468619 0.83 MEN1 (0.42) ALDH1A1HPGDNPC1RAB9APKM
SCHEMBL28640863 0.83 NPC1 (0.62) KDM4ENPC1RAB9APKMFAAH
SCHEMBL1468601 0.82 NPC1 (0.43) ALDH1A1KDM4ENPC1RAB9APKM

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-8722723-B2 Aromatic amide derivative RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
US-20110071304-A1 AROMATIC AMIDE DERIVATIVE RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-03-24 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-20110071304-A1 AROMATIC AMIDE DERIVATIVE NCOR2, NCOR1, EP300 ALDH1A1 1601/4885KDM4E 747/4885HPGD 2149/4885

“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.