SCHEMBL4832048

SCHEMBL4832048

O=[N+]([O-])c1cccc(S(=O)(=O)NCCN2CCc3ccccc3C2)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.69
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 2/20 0.59
TP53 P04637 1/20 0.59
ALDH1A1 P00352 2/20 0.59
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 1/20 0.53
HTR6 P50406 2/20 0.52
CYP19A1 P11511 1/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 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
Hydrochloric Acid SCHEMBL2140664 0.93 HTR7 (0.69) HTR7MEN1KMT2APOLBTP53
Hydrochloric Acid SCHEMBL4232329 0.92 HTR7 (0.70) HTR7MEN1KMT2APOLBTP53
Hydrochloric Acid SCHEMBL4230045 0.91 HTR7 (0.69) HTR7MEN1KMT2APOLBTP53
SCHEMBL9433748 0.89 HTR7 (0.76) HTR7MEN1KMT2ATP53ALDH1A1
SCHEMBL4222537 0.86 ALDH1A1 (0.63) HTR7MEN1KMT2APOLBALDH1A1
SCHEMBL17373973 0.83 MEN1 (0.67) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL7647680 0.82 MEN1 (0.60) HTR7MEN1KMT2APOLBALDH1A1
SCHEMBL5813426 0.80 ALDH1A1 (0.87) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL4223322 0.80 ALDH1A1 (0.58) HTR7MEN1KMT2APOLBALDH1A1
Hydrochloric Acid SCHEMBL4232335 0.79 HTR7 (0.57) HTR7ALDH1A1HTR6

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-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-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 US disclosed
US-20040186102-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2004-09-23 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 (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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 HTR7 240/4885MEN1 2624/4885KMT2A 4263/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 HTR7 240/4885MEN1 2624/4885KMT2A 4263/4885
US-20040186102-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 HTR7 240/4885MEN1 2624/4885KMT2A 4263/4885

“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.