SCHEMBL4832234

SCHEMBL4832234

Cc1cc(Nc2cc(OCCN3CCN(Cc4ccc(S(C)(=O)=O)cc4)CC3)cc(C(F)(F)F)c2)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.46
MMP3 P08254 2/20 0.46
ADAM17 P78536 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR1D P28221 11/20 0.45
HTR1B P28222 11/20 0.45
HTR1A P08908 10/20 0.45
CCR2 P41597 3/20 0.42
ADAM9 Q13443 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACP1 P24666 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
SCHEMBL4633738 0.91 HTR1D (0.53) KDM4EALDH1A1LMNAGAAHTT
SCHEMBL4832197 0.89 HTR1D (0.51) KDM4EALDH1A1LMNAGAAHTT
SCHEMBL14279517 0.88 HTR1D (0.48) MMP1MMP3ADAM17KDM4EALDH1A1
SCHEMBL4832450 0.87 HTR1D (0.45) MMP1MMP3ADAM17KDM4EALDH1A1
SCHEMBL4828140 0.87 HTT (0.53) KDM4EALDH1A1LMNAGAAHTT
SCHEMBL4832616 0.87 HTR1D (0.46) KDM4EALDH1A1LMNAGAAHTT
SCHEMBL4832775 0.86 HTR1D (0.49) KDM4EALDH1A1LMNAGAAHTT
SCHEMBL4828121 0.86 L3MBTL1 (0.54) ALDH1A1LMNAGAAHTTKMT2A
SCHEMBL4829986 0.86 ADRA2A (0.52) KDM4EALDH1A1LMNAGAAHTT
SCHEMBL4834061 0.85 HTR1D (0.60) KDM4EALDH1A1LMNAGAAHTT

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 7 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-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 MMP1 2278/4885MMP3 1289/4885ADAM17 1077/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 MMP1 2278/4885MMP3 1289/4885ADAM17 1077/4885

“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.