SCHEMBL17595178

SCHEMBL17595178

CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)cc(C(=O)OCC)n1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.65
GAA P10253 1/20 0.65
CA9 Q16790 1/20 0.55
GABRA2 P47869 1/20 0.55
GABRB2 P47870 1/20 0.55
AR P10275 4/20 0.54
MAPT P10636 4/20 0.54
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PRKCZ Q05513 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
MCL1 Q07820 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
SCHEMBL19194800 0.95 RAB9A (0.60) RAB9AGAACA9GABRA2GABRB2
SCHEMBL21044388 0.84 SLC6A3 (0.51) RAB9AGAAMAPTHTTSMN1; SMN2
SCHEMBL31315668 0.82 CYP1A2 (0.59) RAB9AGAACA9GABRA2GABRB2
SCHEMBL31751612 0.81 GAA (0.48) RAB9AGAACA9GABRA2GABRB2
SCHEMBL19180346 0.81 CYP1A2 (0.57) RAB9AGAAGABRA2GABRB2MAPT
SCHEMBL28362521 0.81 KCNJ1 (0.64) RAB9AGAACA9ARMAPT
SCHEMBL17594960 0.81 CYP1A2 (0.57) CA9GABRA2GABRB2MAPTSMN1; SMN2
SCHEMBL15379503 0.81 CA9 (0.64) RAB9AGAACA9GABRA2GABRB2
SCHEMBL17595047 0.80 GABRA2 (0.59) GABRA2GABRB2MAPTSMN1; SMN2CYP1A2
SCHEMBL17595262 0.80 HTT (0.58) RAB9AGAAGABRA2GABRB2MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191451-B1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INST SCIENCE & TECH SCHOOL CORP (JP) 2019-06-05 EP disclosed
EP-3191451-B1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INST SCIENCE & TECH SCHOOL CORP (JP) 2019-06-05 EP disclosed
US-20170217889-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2017-08-03 US disclosed
US-20170217889-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2017-08-03 US disclosed
EP-3191451-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME Okinawa Institute of Science and Technology School Corporation (JP) 2017-07-19 EP disclosed
WO-2016038890-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2016-03-17 WO 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-20170217889-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME PDK2, PKD1, PDHA2 RAB9A 2564/4885GAA 1601/4885CA9 641/4885

“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.