SCHEMBL6458932

SCHEMBL6458932

COc1cc(CNC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc(OC)c1O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
APP P05067 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
ADRA2A P08913 2/20 0.37
MCHR1 Q99705 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PARP1 P09874 1/20 0.36
TSHR P16473 1/20 0.36
SUV39H2 Q9H5I1 1/20 0.35
EHMT2 Q96KQ7 5/20 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
SCHEMBL6458901 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBAPPBCHE
SCHEMBL6463374 0.94 TRPV1 (0.38) ALDH1A1KDM4EPOLBAPPBCHE
SCHEMBL6875645 0.94 TRPV1 (0.38) ALDH1A1KDM4EPOLBAPPBCHE
SCHEMBL6875695 0.91 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBAPPBCHE
SCHEMBL6875692 0.91 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBAPPBCHE
SCHEMBL6876906 0.90 MCHR1 (0.41) APPBCHEACHEADRA2AMCHR1
SCHEMBL6876919 0.90 MCHR1 (0.41) APPBCHEACHEADRA2AMCHR1
SCHEMBL6464454 0.88 ALDH1A1 (0.37) ALDH1A1ADRA2AMCHR1PARP1TSHR
SCHEMBL6464446 0.88 ALDH1A1 (0.37) ALDH1A1ADRA2AMCHR1PARP1TSHR
SCHEMBL6462936 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBBCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 ALDH1A1 2036/4885KDM4E 1190/4885POLB 3369/4885

“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.