SCHEMBL1226499

SCHEMBL1226499

Cc1cc(-c2ccc(C)c([N+](=O)[O-])c2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
GRK6 P43250 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
RECQL P46063 1/20 0.46
ALK Q9UM73 1/20 0.45
MAPT P10636 4/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ALPL P05186 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL2578999 0.84 MAPT (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1GRK6
SCHEMBL7190826 0.78 TSHR (0.64) NPC1RAB9ASMN1; SMN2GRK6ALDH1A1
SCHEMBL10099706 0.77 KMT2A (0.59) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL17117159 0.76 TSHR (0.62) NPC1RAB9ASMN1; SMN2L3MBTL1GRK6
SCHEMBL2609206 0.76 GRK6 (0.47) NPC1RAB9ASMN1; SMN2GRK6ALDH1A1
SCHEMBL5821317 0.75 MAPT (0.45) NPC1RAB9ASMN1; SMN2GRK6ALDH1A1
SCHEMBL12077012 0.74 NPC1 (0.45) NPC1RAB9AALDH1A1TSHRCYP3A4
SCHEMBL7236715 0.73 MAPT (0.52) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL12643379 0.73 MAPT (0.69) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL27742209 0.73 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2GRK6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871760-B2 [1,2,4]triazolo[3,4-C][1,4]oxazines as P2X7 modulators ROCHE PALO ALTO LLC (US) 2014-10-28 US disclosed
CN-102264722-B Dihydropyridone amides as p2x7 modulators HOFFMANN LA ROCHE 2014-04-02 CN disclosed
US-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
CN-102639532-A Fused triazole amines as P2X7 modulators HOFFMANN LA ROCHE 2012-08-15 CN disclosed
EP-2480545-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
EP-2459541-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2012-06-06 EP disclosed
CN-102471284-A Dihydropyrimidone amides as P2X7 modulators HOFFMANN LA ROCHE 2012-05-23 CN disclosed
US-8163929-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-24 US disclosed
CN-102264722-A Dihydropyridone amides as p2x7 modulators 2011-11-30 CN disclosed
EP-2382202-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-02 EP disclosed
WO-2011033055-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 WO disclosed
US-20110071143-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-03-24 US disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
WO-2011012592-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 WO disclosed
WO-2010072607-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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 (3 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 NPC1 1906/4885RAB9A 1850/4885SMN1; SMN2 2819/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 NPC1 2814/4885RAB9A 1568/4885SMN1; SMN2 3020/4885
US-20110071143-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS P2RX3, P2RX7, P2RX1 NPC1 1296/4885RAB9A 2222/4885SMN1; SMN2 3496/4885

“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.