SCHEMBL4832245

SCHEMBL4832245

Cc1cc(Nc2ccc(Cl)c(OCCN(C)C)c2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.52
LMNA P02545 2/20 0.50
UTS2R Q9UKP6 3/20 0.49
TSHR P16473 2/20 0.49
HTT P42858 1/20 0.49
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 2/20 0.47
GUSB P08236 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
EHMT2 Q96KQ7 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL4834020 0.92 NCF1 (0.52) NCF1LMNATSHRHTTTP53
SCHEMBL4632672 0.89 NCF1 (0.54) NCF1LMNATSHRHTTTP53
SCHEMBL4632716 0.86 IGF1R (0.56) NCF1UTS2RHTTSMN1; SMN2KDM4E
SCHEMBL4829960 0.84 NCF1 (0.56) NCF1UTS2RKDM4EKMT2A
SCHEMBL4834067 0.82 NCF1 (0.53) NCF1LMNATSHRHTTTP53
SCHEMBL14288479 0.80 HTT (0.52) NCF1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL4834329 0.80 ABCG2 (0.59) LMNATP53SMN1; SMN2MAPTKMT2A
SCHEMBL5132193 0.78 LMNA (0.51) NCF1LMNATSHRHTTTP53
SCHEMBL4829967 0.78 NCF1 (0.42) NCF1UTS2RHTTSMN1; SMN2KDM4E
SCHEMBL4664480 0.78 POLB (0.59) LMNATSHRHTTTP53KDM4E

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 11 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-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-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 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
WO-2004078114-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-16 WO 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 NCF1 1285/4885LMNA 3004/4885UTS2R 1/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 NCF1 1285/4885LMNA 3004/4885UTS2R 1/4885

“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.