SCHEMBL16990656

SCHEMBL16990656

O=C(NCc1ccc(Oc2ccnc(C(=O)O)c2)cc1)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
DDR2 Q16832 2/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
P2RX3 P56373 11/20 0.48
MEN1 O00255 2/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PDGFRA P16234 1/20 0.44
KDR P35968 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL16990596 0.90 DDR2 (0.47) HTTDDR2P2RX3
SCHEMBL15573069 0.89 DDR2 (0.65) HTTDDR2KMT2ANPC1RAB9A
SCHEMBL15573349 0.89 DDR2 (0.59) HTTDDR2KMT2ANPC1RAB9A
SCHEMBL16990688 0.88 DDR2 (0.59) HTTDDR2P2RX3MAPTGAA
SCHEMBL16990665 0.87 DDR2 (0.69) DDR2KMT2AP2RX3MEN1MAPT
SCHEMBL15573134 0.86 HTT (0.80) HTTKMT2ANPC1RAB9AMEN1
SCHEMBL16990605 0.85 DDR2 (0.49) DDR2P2RX3
SCHEMBL16990602 0.85 MEN1 (0.50) DDR2KMT2ANPC1RAB9AP2RX3
SCHEMBL16990609 0.84 DDR2 (0.45) HTTDDR2KMT2ANPC1RAB9A
SCHEMBL15573350 0.83 P2RX3 (0.44) DDR2P2RX3

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 HTT 3579/4885DDR2 1/4885KMT2A 3848/4885

“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.