SCHEMBL6645993

SCHEMBL6645993

Cc1ccc(C2=C(C(=O)Nc3ccc(NCCn4cccn4)nc3)CCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 5/20 0.42
ALDH1A1 P00352 3/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TP53 P04637 2/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 3/20 0.36
NAMPT P43490 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
HIF1A Q16665 1/20 0.36
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6648345 0.89 THRB (0.41) ALDH1A1THRBKDM4ERXFP1NPC1
SCHEMBL6649510 0.86 HCRTR2 (0.42) HCRTR2ALDH1A1THRBKDM4ERXFP1
SCHEMBL6645771 0.84 HCRTR2 (0.38) HCRTR2ALDH1A1THRBKDM4ENPC1
SCHEMBL6646086 0.83 THRB (0.51) ALDH1A1THRBKDM4ERXFP1NPC1
SCHEMBL6491345 0.81 CYP1A2 (0.44) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL6643248 0.80 ALDH1A1 (0.46) ALDH1A1THRBKDM4ERXFP1KMT2A
SCHEMBL6647399 0.78 THRB (0.39) ALDH1A1THRBKDM4ERXFP1NPC1
SCHEMBL6645757 0.78 THRB (0.35) ALDH1A1THRBKDM4ERXFP1NPC1
SCHEMBL6491525 0.77 ALDH1A1 (0.38) HCRTR2ALDH1A1THRBKDM4ENPC1
SCHEMBL6644677 0.76 LMNA (0.43) HCRTR2THRBNPC1RAB9ASMN1; SMN2

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-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR HCRTR2 234/4885ALDH1A1 2174/4885THRB 340/4885

“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.