SCHEMBL4832798

SCHEMBL4832798

CS(=O)(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
OPRM1 P35372 3/20 0.49
HTR7 P34969 1/20 0.49
KDM1A O60341 1/20 0.48
GRIN2B Q13224 2/20 0.47
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 1/20 0.46
MAPT P10636 1/20 0.46
GRIN2A Q12879 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL14313676 0.82 OPRM1 (0.51) MEN1KMT2AOPRM1LMNA
SCHEMBL5754882 0.80 MEN1 (0.57) MEN1KMT2AHTR7KDM1AGRIN2B
SCHEMBL5758268 0.79 CCR5 (0.57) MEN1KMT2AOPRM1GRIN2BSLC6A2
SCHEMBL4632909 0.79 MEN1 (0.65) MEN1KMT2AKDM1AGRIN2BSLC6A2
SCHEMBL5758878 0.75 GRIN2B (0.50) MEN1KMT2AHTR7KDM1AGRIN2B
SCHEMBL4828181 0.74 MEN1 (0.55) MEN1KMT2AMAPTLMNAPKM
SCHEMBL7401985 0.74 TMEM97 (0.68) MEN1KMT2ASLC6A2SLC6A4MAPT
SCHEMBL4824999 0.73 HTR1A (0.49) HTR7SLC6A4
SCHEMBL4832155 0.73 MEN1 (0.65) MEN1KMT2AGRIN2BMAPTLMNA
SCHEMBL2997455 0.73 KMT2A (0.56) MEN1KMT2AMAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 US 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 (2 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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 MEN1 2624/4885KMT2A 4263/4885OPRM1 615/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 MEN1 2624/4885KMT2A 4263/4885OPRM1 615/4885

“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.