SCHEMBL1133972

SCHEMBL1133972

CCc1cc2cc(C(=O)O)ccc2nc1C

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 8/20 0.68
TDP1 Q9NUW8 2/20 0.60
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
HSP90AA1 P07900 1/20 0.46
ESR2 Q92731 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL23757872 0.83 GRM1 (0.58) GRM1TDP1MEN1KMT2ANPC1
SCHEMBL3088453 0.82 GRM1 (0.58) GRM1TDP1
SCHEMBL8354874 0.82 GRM1 (1.00) GRM1NPC1RAB9AL3MBTL1
SCHEMBL16621408 0.81 TDP1 (0.66) GRM1TDP1MEN1KMT2ANPC1
SCHEMBL22110718 0.80 TDP1 (0.64) GRM1TDP1MEN1KMT2ANPC1
SCHEMBL4428208 0.79 NPC1 (0.67) GRM1TDP1MEN1KMT2ANPC1
SCHEMBL18423031 0.79 TDP1 (0.62) GRM1TDP1MEN1KMT2ANPC1
SCHEMBL22672667 0.79 TDP1 (0.62) GRM1TDP1MEN1KMT2ANPC1
SCHEMBL29151067 0.79 TDP1 (0.62) GRM1TDP1MEN1KMT2ANPC1
SCHEMBL13597686 0.78 MEN1 (0.54) GRM1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102066360-B Quinoline-or isoquinoline-substituted P2X7 antagonists JANSSEN PHARMACEUTICA NV 2013-10-30 CN disclosed
US-8431704-B2 Quinoline or isoquinoline substituted P2X7 antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-04-30 US disclosed
EP-2285800-B1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-11-16 EP disclosed
CN-102066360-A Quinoline-or isoquinoline-substituted P2X7 antagonists JANSSEN PHARMACEUTICA NV 2011-05-18 CN disclosed
US-20110092481-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS JANSSEN PHARMACEUTICA NV 2011-04-21 US disclosed
EP-2285800-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2011-02-23 EP disclosed
WO-2009132000-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 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-20110092481-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS P2RX7, P2RX1, P2RX3 GRM1 590/4885TDP1 1606/4885MEN1 4431/4885

“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.