SCHEMBL1963729

SCHEMBL1963729

CCN(CC)CCCn1c(=O)c(-c2ccccc2)nc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.57
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
PKM P14618 1/20 0.54
DRD3 P35462 6/20 0.52
DRD2 P14416 5/20 0.52
TOP2A P11388 1/20 0.51
MCHR1 Q99705 1/20 0.51
HRH1 P35367 2/20 0.49
MLNR O43193 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
ADRA1A P35348 1/20 0.49
PTGS2 P35354 1/20 0.49
OPRD1 P41143 1/20 0.49

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
SCHEMBL1966502 0.93 PKM (0.64) CFTRALDH1A1KDM4EGAAHPGD
SCHEMBL981153 0.86 CFTR (0.64) CFTRALDH1A1KDM4EGAAHPGD
SCHEMBL1962111 0.81 CFTR (0.64) CFTRALDH1A1KDM4EGAAHPGD
SCHEMBL7736432 0.80 F2 (0.51) CFTRALDH1A1PKMDRD3DRD2
SCHEMBL1963617 0.78 CFTR (0.68) CFTRALDH1A1KDM4EGAAHPGD
SCHEMBL29056637 0.77 DRD3 (0.62) KDM4EGAAHPGDPKMDRD3
SCHEMBL29056657 0.77 MCHR1 (0.60) GAAPKMDRD3DRD2MCHR1
SCHEMBL982260 0.77 CFTR (0.55) CFTRALDH1A1KDM4EGAAHPGD
SCHEMBL7416308 0.77 ALDH1A1 (0.60) ALDH1A1KDM4EGAAHPGDPKM
SCHEMBL981905 0.77 KDM4E (0.55) CFTRALDH1A1KDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020086866-A1 Quinoxalinones as serine protease inhibitors DUDLEY DANETTE ANDREA (US) 2002-07-04 US claimed
US-6410536-B1 ANTICOAGULANTS WARNER-LAMBERT COMPANY 2002-06-25 US claimed
EP-1068190-A1 QUINOXALINONES AS SERINE PROTEASE INHIBITORS SUCH AS FACTOR XA AND THROMBIN WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP claimed
WO-1999050254-A1 QUINOXALINONES AS SERINE PROTEASE INHIBITORS SUCH AS FACTOR XA AND THROMBIN WARNER-LAMBERT COMPANY (US) 1999-10-07 WO claimed
US-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE BAYER CROPSCIENCE AG (DE) 2011-06-16 US disclosed
US-20050256000-A1 Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use BAYER CROPSCIENCE GMBH (DE) 2005-11-17 US disclosed
US-6916805-B2 Quinoxalinones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-07-12 US disclosed
US-20020086866-A1 Quinoxalinones as serine protease inhibitors DUDLEY DANETTE ANDREA (US) 2002-07-04 US disclosed
US-6410536-B1 ANTICOAGULANTS WARNER-LAMBERT COMPANY 2002-06-25 US disclosed
EP-1068190-A1 QUINOXALINONES AS SERINE PROTEASE INHIBITORS SUCH AS FACTOR XA AND THROMBIN WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP disclosed
WO-1999050254-A1 QUINOXALINONES AS SERINE PROTEASE INHIBITORS SUCH AS FACTOR XA AND THROMBIN WARNER-LAMBERT COMPANY (US) 1999-10-07 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 (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-20050256000-A1 Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use QSOX1, CYC1, CBR3 CFTR 1612/4885ALDH1A1 1058/4885KDM4E 2003/4885
US-20020086866-A1 Quinoxalinones as serine protease inhibitors HABP2, SERPINB1, PRSS1 CFTR 1321/4885ALDH1A1 1960/4885KDM4E 1273/4885
US-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE QSOX1, PRDX2, NQO2 CFTR 1881/4885ALDH1A1 1311/4885KDM4E 2076/4885

“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.