SCHEMBL4833749

SCHEMBL4833749

O=C1CN(CCOc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTR2A P28223 2/20 0.41
THRB P10828 3/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
LTA4H P09960 4/20 0.39
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.38
SCN9A Q15858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL545206 0.82 LTA4H (0.56) KDM4EALDH1A1TDP1MAPTKMT2A
SCHEMBL30063063 0.82 LTA4H (0.56) KDM4EALDH1A1TDP1MAPTKMT2A
SCHEMBL30697141 0.79 RAB9A (0.48) KDM4EALDH1A1KMT2AMEN1LTA4H
SCHEMBL16055917 0.79 RAB9A (0.48) KDM4EALDH1A1KMT2AMEN1LTA4H
SCHEMBL4832519 0.78 KMT2A (0.49) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL1603675 0.74 LMNA (0.49) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL30061908 0.73 ENPP2 (0.40) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL14279323 0.72 MAPT (0.38) ALDH1A1TDP1MAPTSMN1; SMN2LMNA
SCHEMBL1264295 0.72 ALDH1A1 (0.41) ALDH1A1TDP1MAPTSMN1; SMN2LMNA
SCHEMBL3155181 0.72 ALDH1A1 (0.39) ALDH1A1TDP1MAPTKMT2AMEN1

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 KDM4E 4818/4885ALDH1A1 3771/4885TDP1 3331/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 KDM4E 4818/4885ALDH1A1 3771/4885TDP1 3331/4885

“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.