SCHEMBL6458291

SCHEMBL6458291

Cc1ccc(C(=O)NC[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PKM P14618 1/20 0.53
MCHR1 Q99705 6/20 0.44
ADRA2A P08913 3/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
POLB P06746 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
MAPK14 Q16539 3/20 0.42
NPY5R Q15761 2/20 0.41
HSPB1 P04792 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL6458298 1.00 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2PKMMCHR1
SCHEMBL6460890 0.94 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2PKMMCHR1
SCHEMBL6460893 0.94 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2PKMMCHR1
SCHEMBL6460121 0.91 SMN1; SMN2 (0.46) ALDH1A1LMNASMN1; SMN2PKMMCHR1
SCHEMBL6462575 0.91 SMN1; SMN2 (0.46) ALDH1A1LMNASMN1; SMN2PKMMCHR1
SCHEMBL6463734 0.89 ADRA2A (0.54) ALDH1A1LMNASMN1; SMN2PKMMCHR1
SCHEMBL6463741 0.89 ADRA2A (0.54) ALDH1A1LMNASMN1; SMN2PKMMCHR1
SCHEMBL6462961 0.88 MCHR1 (0.42) ALDH1A1LMNASMN1; SMN2PKMMCHR1
SCHEMBL6462958 0.88 MCHR1 (0.42) ALDH1A1LMNASMN1; SMN2PKMMCHR1
SCHEMBL6456279 0.87 MCHR1 (0.58) ALDH1A1SMN1; SMN2MCHR1ADRA2APOLB

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
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 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 ALDH1A1 2036/4885LMNA 3391/4885SMN1; SMN2 1477/4885

“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.