SCHEMBL1077879

SCHEMBL1077879

CCOC(=O)c1nc(C)n(-c2ccccn2)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
TP53 P04637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 7/20 0.49
MAPT P10636 4/20 0.49
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
SLC11A2 P49281 1/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A4 P31645 1/20 0.45

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
SCHEMBL10153133 0.82 ALDH1A1 (0.48) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL1078509 0.81 TP53 (0.58) HPGDTP53NPC1RAB9AALDH1A1
SCHEMBL1083616 0.81 ALDH1A1 (0.47) HPGDALDH1A1KDM4EMAPTHTT
Lithium Ion SCHEMBL1083615 0.80 HTR2A (0.45) HPGDALDH1A1KDM4EMAPTGAA
SCHEMBL4965866 0.76 PDE4A (0.45) TP53NPC1RAB9AMAPTNPSR1
SCHEMBL16935806 0.76 SLC5A1 (0.49) TP53NPC1RAB9AALDH1A1KDM4E
SCHEMBL17627092 0.75 ALDH1A1 (0.52) HPGDTP53NPC1RAB9AALDH1A1
SCHEMBL18355727 0.74 ALDH1A1 (0.51) TP53NPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL18355722 0.74 ALDH1A1 (0.60) HPGDTP53ALDH1A1HTTLMNA
SCHEMBL5803621 0.74 NPC1 (0.52) HPGDTP53NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835436-B2 Arylpiperazine-containing imidazole 4-carboxamide derivatives and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2014-09-16 US disclosed
US-8835436-B2 Arylpiperazine-containing imidazole 4-carboxamide derivatives and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2014-09-16 US disclosed
US-8835436-B2 Arylpiperazine-containing imidazole 4-carboxamide derivatives and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2014-09-16 US disclosed
US-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2012-05-10 US disclosed
US-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2012-05-10 US disclosed
US-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2012-05-10 US disclosed
WO-2011005052-A2 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN GROSS CORPORATION (KR) 2011-01-13 WO disclosed
WO-2011005052-A2 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN GROSS CORPORATION (KR) 2011-01-13 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-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME HTR2C, HTR5A, HTR2A HPGD 1263/4885TP53 4034/4885NPC1 990/4885

“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.