SCHEMBL1468601

SCHEMBL1468601

CCCc1ccc(N2Cc3cc(N)ccc3C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
PKM P14618 3/20 0.43
MGLL Q99685 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CYP2D6 P10635 2/20 0.39
CASP1 P29466 3/20 0.38
CASP7 P55210 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
CRBN Q96SW2 1/20 0.38
CNR2 P34972 2/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 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
SCHEMBL1468412 0.92 NPC1 (0.42) NPC1RAB9APKMMGLLHTR1A
SCHEMBL1468089 0.90 FAAH (0.46) NPC1RAB9APKMMGLLHTR2A
SCHEMBL1467554 0.90 FAAH (0.46) NPC1RAB9APKMMGLLHTR2A
SCHEMBL1468655 0.89 NPC1 (0.43) NPC1RAB9APKMMGLLHTR1A
SCHEMBL1468653 0.83 NPC1 (0.41) NPC1RAB9APKMMGLLHTR1A
SCHEMBL10085912 0.82 NPC1 (0.66) NPC1RAB9APKMMGLLHTR1A
SCHEMBL1468037 0.82 ALDH1A1 (0.42) NPC1RAB9APKMMGLLHTR1A
SCHEMBL1468030 0.81 TNF (0.49) NPC1RAB9APKMHTR1AADRA1A
SCHEMBL1468580 0.80 FAAH (0.46) NPC1RAB9APKMMGLLHTR2A
SCHEMBL1468034 0.80 FAAH (0.46) NPC1RAB9APKMMGLLHTR2A

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 NPC1 2827/4885RAB9A 1837/4885PKM 3633/4885

“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.