SCHEMBL16990709

SCHEMBL16990709

COc1nc2ccccc2cc1NC(=O)NCc1ccc(Oc2ccnc(C(=O)O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
PYGL P06737 3/20 0.45
PYGM P11217 3/20 0.45
TRPV1 Q8NER1 1/20 0.44
DDR2 Q16832 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MET P08581 1/20 0.43
GSK3B P49841 1/20 0.41
CSF1R P07333 2/20 0.41
PDGFRB P09619 1/20 0.40
FLT4 P35916 1/20 0.40
FLT3 P36888 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL13603524 0.91 DDR2 (0.53) ALDH1A1KMT2AKDM4EMEN1DDR2
SCHEMBL16990613 0.84 GSK3B (0.48) ALDH1A1KMT2AKDM4EMEN1PYGL
SCHEMBL16990693 0.83 HDAC1 (0.55) ALDH1A1KMT2AKDM4EMEN1PYGL
SCHEMBL15574571 0.82 NAMPT (0.49) KDM4ENPC1RAB9ACSF1R
SCHEMBL15574560 0.80 NPC1 (0.58) KMT2AMEN1NPC1RAB9ACSF1R
SCHEMBL16990683 0.80 L3MBTL1 (0.62) ALDH1A1KMT2APYGLPYGMDDR2
SCHEMBL15574905 0.80 GCK (0.47) PYGLPYGMNPC1RAB9AMET
SCHEMBL15574737 0.79 DDR2 (0.53) ALDH1A1KMT2AKDM4EMEN1TRPV1
SCHEMBL4173358 0.79 RAF1 (0.52) KMT2AMEN1
SCHEMBL257963 0.79 RAF1 (0.59) KMT2AMEN1DDR2METGSK3B

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 ALDH1A1 2098/4885KMT2A 3848/4885KDM4E 4649/4885

“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.