SCHEMBL5459962

SCHEMBL5459962

COc1c(C)cccc1NC(=O)Nc1ccc(N2CCN(C(=O)Nc3ncccc3C#N)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 2/20 0.47
TRPV1 Q8NER1 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 6/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
P2RY1 P47900 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5466982 0.92 MAPT (0.47) PANK3CA12CA1CA2CA9
SCHEMBL5465363 0.91 RAB9A (0.52) TRPV1KMT2AMAPTNPC1RAB9A
SCHEMBL5455973 0.88 TRPV1 (0.51) TRPV1KMT2AMAPTNPC1RAB9A
SCHEMBL5453308 0.85 GFER (0.53) TRPV1KMT2AMEN1MAPTNPC1
SCHEMBL5467032 0.85 PANK3 (0.46) PANK3CA12CA1CA2CA9
SCHEMBL5458442 0.85 MAPT (0.47) PANK3CA12CA1CA2CA9
SCHEMBL5454308 0.84 NAMPT (0.50) PANK3CA12CA1CA2CA9
SCHEMBL5465480 0.83 KMT2A (0.63) PANK3CA12CA1CA2CA9
SCHEMBL5470998 0.81 RAB9A (0.53) TRPV1CA12CA1CA2CA9
SCHEMBL5469441 0.81 PANK3 (0.45) PANK3TRPV1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 PANK3 3325/4885TRPV1 4674/4885CA12 4201/4885

“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.