SCHEMBL6565800

SCHEMBL6565800

CC(C)Cc1cc(NC(=O)Nc2ccc3nc[nH]c3c2)ccc1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 12/20 0.55
NAMPT P43490 2/20 0.51
EPHX1 P07099 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
P2RY14 Q15391 3/20 0.43
CYP3A4 P08684 1/20 0.41
P2RY6 Q15077 1/20 0.41

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
SCHEMBL6566619 0.81 KMT2A (0.51) NPC1RAB9A
SCHEMBL6566599 0.80 FPR2 (0.53) NPC1RAB9A
SCHEMBL6564613 0.79 HIF1A (0.50) NPC1RAB9A
SCHEMBL6566853 0.78 CASR (0.53) NPC1RAB9A
SCHEMBL6566998 0.77 RAB9A (0.55) NPC1RAB9A
SCHEMBL6564461 0.75 RAB9A (0.50) NPC1RAB9ACYP3A4
SCHEMBL27548486 0.75 NAMPT (0.67) QPCTNAMPTEPHX1NPC1RAB9A
SCHEMBL6568007 0.71 KMT2A (0.47) RAB9A
SCHEMBL30050799 0.69 QPCT (0.75) QPCTNAMPTEPHX1NPC1RAB9A
SCHEMBL3628979 0.69 PPARA (0.46)

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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 QPCT 3706/4885NAMPT 3240/4885EPHX1 2037/4885

“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.