SCHEMBL16990731

SCHEMBL16990731

CN(C)CCCOc1ccccc1NC(=O)NCc1ccc(Oc2ccnc(C(=O)O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 9/20 0.48
CACNA1H O95180 3/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
DDR2 Q16832 3/20 0.45
PYGL P06737 1/20 0.43
PYGM P11217 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MET P08581 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
SCHEMBL13603469 0.92 DDR2 (0.52) CACNA1BCACNA1HPOLBMEN1GAA
SCHEMBL15575223 0.88 POLB (0.51) CACNA1BCACNA1HPOLBMEN1GAA
SCHEMBL15574695 0.88 POLB (0.49) CACNA1BPOLBMEN1GAAKMT2A
SCHEMBL16990693 0.86 HDAC1 (0.55) POLBMEN1GAAKMT2ADDR2
SCHEMBL16990667 0.86 DDR2 (0.62) CACNA1BDDR2
SCHEMBL16990690 0.84 DDR2 (0.61) DDR2
SCHEMBL16990628 0.83 DDR2 (0.59) CACNA1BDDR2
SCHEMBL16990624 0.82 DDR2 (0.67) DDR2
SCHEMBL16990651 0.82 DDR2 (0.63) DDR2
SCHEMBL15573192 0.80 DDR2 (0.54) POLBMEN1GAAKMT2ADDR2

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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 CACNA1B 3266/4885CACNA1H 4015/4885POLB 3563/4885

“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.