SCHEMBL4828121

SCHEMBL4828121

Cc1cc(Nc2cc(OCCN3CCN(S(=O)(=O)c4ccccc4)CC3)cc(C(F)(F)F)c2)c2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 6/20 0.46
HTT P42858 4/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 2/20 0.46
MAPK1 P28482 2/20 0.46
PKM P14618 1/20 0.46
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CYP1A2 P05177 1/20 0.40
POLB P06746 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
SCHEMBL4832321 0.89 L3MBTL1 (0.43) L3MBTL1LMNAHTTHTR1AHTR7
SCHEMBL4829986 0.88 ADRA2A (0.52) LMNAHTTHTR1AALDH1A1KMT2A
SCHEMBL4633639 0.88 HTT (0.53) L3MBTL1LMNAHTTHSD17B10USP2
SCHEMBL4832315 0.87 HTT (0.43) L3MBTL1LMNAHTTHTR1AALDH1A1
SCHEMBL4833563 0.87 HRH3 (0.47) LMNAHTTTSHRADRA2AADRA2B
SCHEMBL4832234 0.86 MMP1 (0.46) L3MBTL1LMNAHTTHTR1AALDH1A1
SCHEMBL4633738 0.86 HTR1D (0.53) LMNAHTTHTR1AALDH1A1KMT2A
SCHEMBL4834274 0.86 ADRA2A (0.55) LMNAHTTHTR1AHTR7TSHR
SCHEMBL4830118 0.85 BRAF (0.48) LMNAHTTTSHRADRA2AADRA2B
SCHEMBL4824920 0.84 ADRA2A (0.52) LMNAHTTTSHRADRA2AADRA2B

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 L3MBTL1 4855/4885LMNA 3004/4885HTT 1829/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 L3MBTL1 4855/4885LMNA 3004/4885HTT 1829/4885

“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.