SCHEMBL691201

SCHEMBL691201

CCCC[Sn](CCCC)(CCCC)c1ccc2cccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
NR4A2 P43354 1/20 0.45
CYP3A4 P08684 3/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
PDE10A Q9Y233 1/20 0.38
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL691606 0.89 ALDH1A1 (0.47) ALDH1A1MEN1CASP1KMT2ACYP1A2
SCHEMBL1452051 0.78 CYP2A6 (0.42) MEN1KMT2ACYP1A2CYP2C19HTT
SCHEMBL9901980 0.77 BDKRB2 (0.35) CYP1A2NPC1RAB9A
SCHEMBL9318593 0.76 ALDH1A1 (0.58) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL12957491 0.74 CYP3A4 (0.60) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL6115165 0.74 ALDH1A1 (0.51) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL6114945 0.73 ALDH1A1 (0.50) ALDH1A1MEN1CASP1CASP7KMT2A
Quinoline SCHEMBL28162427 0.72 ALDH1A1 (0.71) ALDH1A1MEN1CASP1CASP7KMT2A
Quinoline SCHEMBL28025239 0.72 ALDH1A1 (0.71) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL6114869 0.72 TLR8 (0.49) ALDH1A1MEN1CASP1CASP7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190659-A1 ANGIOGENESIS INHIBITORS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2012-07-26 US disclosed
EP-2421882-A2 ANGIOGENESIS INHIBITORS President and Fellows of Harvard College (US) 2012-02-29 EP disclosed
WO-2010123545-A2 ANGIOGENESIS INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-10-28 WO disclosed
US-5141931-A 5-Quinolinylpyridinones, cardiotonic compositions and methods STERLING WINTHROP INC. (US) 1992-08-25 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-20120190659-A1 ANGIOGENESIS INHIBITORS VEGFA, KDR, FLT1 ALDH1A1 614/4885MEN1 3581/4885CASP1 2314/4885

“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.