Sugi Predict

Sugi Predict / Compounds / SCHEMBL6465997

SCHEMBL6465997

SCHEMBL6465997

Cc1c(NC(=O)NCC2CCC(Nc3nccc(N(C)C)n3)CC2)cccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ NPY5R Q15761 1/20 0.44
▸ LMNA P02545 2/20 0.41
▸ MCHR1 Q99705 6/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 3/20 0.39
▸ ADRA2A P08913 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37

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
SCHEMBL6465993 1.00 KMT2A (0.46) KMT2ANPY5RLMNAMCHR1ATG4B
SCHEMBL6875838 0.89 KMT2A (0.60) KMT2ALMNAMCHR1MEN1GAA
SCHEMBL6875847 0.89 KMT2A (0.60) KMT2ALMNAMCHR1MEN1GAA
SCHEMBL6462511 0.89 MCHR1 (0.41) NPY5RMCHR1ATG4BADRA2AADRA1A
SCHEMBL6462520 0.89 MCHR1 (0.41) NPY5RMCHR1ATG4BADRA2AADRA1A
SCHEMBL6460221 0.86 MCHR1 (0.47) KMT2AMCHR1MEN1SMN1; SMN2ADRA2A
SCHEMBL6460215 0.86 MCHR1 (0.47) KMT2AMCHR1MEN1SMN1; SMN2ADRA2A
SCHEMBL6462114 0.85 MCHR1 (0.41) NPY5RMCHR1ATG4BADRA2AADRA1A
SCHEMBL6462105 0.85 MCHR1 (0.41) NPY5RMCHR1ATG4BADRA2AADRA1A
SCHEMBL6876325 0.84 MCHR1 (0.45) KMT2AMCHR1MEN1MAPTADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 — — US claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 — — EP claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 — — US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 — — WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 — — EP 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 KMT2A 693/4885NPY5R 8/4885LMNA 3391/4885

“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.