SCHEMBL16990693

SCHEMBL16990693

COc1ccccc1NC(=O)NCc1ccc(Oc2ccnc(C(=O)O)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC11 Q96DB2 1/20 0.54
DDR2 Q16832 2/20 0.53
PYGL P06737 1/20 0.52
PYGM P11217 1/20 0.52
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.51
KMT2A Q03164 4/20 0.50
NAMPT P43490 1/20 0.49
MET P08581 1/20 0.49
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
PDGFRA P16234 1/20 0.48
KDR P35968 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
RAF1 P04049 1/20 0.47

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
SCHEMBL15573077 0.90 DDR2 (0.65) HDAC1HDAC6HDAC11DDR2PYGL
SCHEMBL16990683 0.90 L3MBTL1 (0.62) DDR2PYGLPYGMALDH1A1L3MBTL1
SCHEMBL15575329 0.89 KMT2A (0.60) DDR2ALDH1A1L3MBTL1POLBKMT2A
SCHEMBL15574695 0.88 POLB (0.49) HDAC1HDAC6HDAC11DDR2PYGL
SCHEMBL15573349 0.88 DDR2 (0.59) DDR2ALDH1A1L3MBTL1KMT2AGAA
SCHEMBL16990665 0.88 DDR2 (0.69) DDR2ALDH1A1L3MBTL1POLBKMT2A
SCHEMBL16990613 0.87 GSK3B (0.48) DDR2PYGLPYGMALDH1A1L3MBTL1
SCHEMBL16990731 0.86 CACNA1B (0.48) HDAC1HDAC6DDR2PYGLPYGM
SCHEMBL15574618 0.86 DDR2 (0.55) DDR2ALDH1A1L3MBTL1KMT2AGAA
SCHEMBL15575211 0.85 ALDH1A1 (0.66) HDAC1HDAC6HDAC11ALDH1A1L3MBTL1

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 HDAC1 2366/4885HDAC6 620/4885HDAC11 2990/4885

“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.