SCHEMBL16990596

SCHEMBL16990596

O=C(NCc1ccc(Oc2ccnc(C(=O)O)c2)cc1)Nc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 2/20 0.47
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
P2RX3 P56373 12/20 0.44
RAF1 P04049 2/20 0.42

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
SCHEMBL16990656 0.90 HTT (0.59) DDR2HTTP2RX3
SCHEMBL15575325 0.89 DDR2 (0.59) DDR2CA9P2RX3RAF1
SCHEMBL16990647 0.87 RAB9A (0.52) DDR2HTTCA9P2RX3RAF1
SCHEMBL16990609 0.86 DDR2 (0.45) DDR2HTTP2RX3
SCHEMBL15575399 0.86 HTT (0.60) HTTCA12CA1CA2CA9
SCHEMBL16990605 0.85 DDR2 (0.49) DDR2P2RX3
SCHEMBL16990632 0.85 DDR2 (0.57) DDR2HTTP2RX3RAF1
SCHEMBL15573350 0.84 P2RX3 (0.44) DDR2P2RX3RAF1
SCHEMBL15574618 0.84 DDR2 (0.55) DDR2RAF1
SCHEMBL16990602 0.84 MEN1 (0.50) 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 DDR2 1/4885HTT 3579/4885CA12 3015/4885

“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.