SCHEMBL2638818

SCHEMBL2638818

Cc1ccc([O])c([N+](=O)[O-])n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 6/20 0.47
S1PR4 O95977 9/20 0.45
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CTSB P07858 1/20 0.45
CTSH P09668 1/20 0.45
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL799663 0.81 ALDH1A1 (0.53) NPC1RAB9AALDH1A1S1PR4MAPT
SCHEMBL10025751 0.78 NPC1 (0.51) NPC1RAB9AALDH1A1S1PR4MAPT
SCHEMBL187124 0.78 CTSB (0.56) NPC1RAB9AALDH1A1S1PR4MAPT
SCHEMBL31121580 0.78 CTSB (0.56) NPC1RAB9AALDH1A1S1PR4MAPT
SCHEMBL28051995 0.78 S1PR4 (0.52) NPC1RAB9AALDH1A1S1PR4MAPT
SCHEMBL5149307 0.75 MAPT (0.34) NPC1RAB9AALDH1A1S1PR4MAPT
SCHEMBL187354 0.75 NPC1 (0.64) NPC1RAB9AALDH1A1S1PR4MAPT
SCHEMBL6785310 0.75 ALDH1A1 (0.46) NPC1RAB9AALDH1A1S1PR4MAPT
SCHEMBL2475369 0.73 ALDH1A1 (0.47) NPC1RAB9AALDH1A1S1PR4MAPT
SCHEMBL8790468 0.73 NPC1 (0.57) NPC1RAB9AALDH1A1S1PR4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4831966-B2 2011-12-07 JP claimed
US-7244722-B2 Amino-substituted 1H-pyrazin-2-ones and 1H-quinoxalin-2-ones BIOVITRUM AB (SE) 2007-07-17 US claimed
CN-1305871-C For the treatment of 5-HT2APiperazinyl-pyrazinone derivatives for receptor related diseases BIOVITRUM AB (SE) 2007-03-21 CN claimed
EP-1534391-B1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2007-02-14 EP claimed
CN-1675198-A Novel piperazinyl-pyrazinone derivatives for the treatment of 5-HT2a receptor-related disorders BIOVITRUM AB (SE) 2005-09-28 CN claimed
EP-1534391-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS Biovitrum AB (SE) 2005-06-01 EP claimed
US-20040063693-A1 Compounds BIOVITRUM AB (SE) 2004-04-01 US claimed
WO-2004009586-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2004-01-29 WO claimed
US-7244722-B2 Amino-substituted 1H-pyrazin-2-ones and 1H-quinoxalin-2-ones BIOVITRUM AB (SE) 2007-07-17 US disclosed
CN-1305871-C For the treatment of 5-HT2APiperazinyl-pyrazinone derivatives for receptor related diseases BIOVITRUM AB (SE) 2007-03-21 CN disclosed
EP-1534391-B1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2007-02-14 EP disclosed
CN-1675198-A Novel piperazinyl-pyrazinone derivatives for the treatment of 5-HT2a receptor-related disorders BIOVITRUM AB (SE) 2005-09-28 CN disclosed
EP-1534391-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS Biovitrum AB (SE) 2005-06-01 EP disclosed
US-20040063693-A1 Compounds BIOVITRUM AB (SE) 2004-04-01 US disclosed
WO-2004009586-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2004-01-29 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-20040063693-A1 Compounds HTR1A, HTR1B, HTR2C NPC1 522/4885RAB9A 1468/4885ALDH1A1 412/4885

“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.