SCHEMBL5126124

SCHEMBL5126124

CCc1cccc(NCCCOc2cccc(Nc3cc(C)nc4ccccc34)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
HTT P42858 1/20 0.62
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
LMNA P02545 3/20 0.47
NPC1 O15118 1/20 0.46
NCF1 P14598 1/20 0.46
F2 P00734 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MITF O75030 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 2/20 0.43
ACP1 P24666 2/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL4832602 0.88 TSHR (0.69) TSHRHTTABCB1ABCG2LMNA
SCHEMBL4633382 0.85 TSHR (0.62) TSHRHTTABCB1ABCG2LMNA
SCHEMBL4834583 0.84 TSHR (0.61) TSHRHTTABCB1ABCG2LMNA
SCHEMBL4633373 0.84 TSHR (0.64) TSHRHTTABCB1ABCG2LMNA
SCHEMBL4832413 0.84 TSHR (0.66) TSHRHTTABCB1ABCG2LMNA
SCHEMBL4832247 0.83 TSHR (0.60) TSHRHTTABCB1ABCG2LMNA
SCHEMBL4631950 0.83 TSHR (0.62) TSHRHTTABCB1ABCG2LMNA
SCHEMBL4828030 0.83 TSHR (0.69) TSHRHTTABCB1ABCG2LMNA
SCHEMBL4829830 0.83 TSHR (0.54) TSHRHTTLMNANPC1KDM4E
SCHEMBL6331255 0.82 TSHR (0.61) TSHRHTTABCB1ABCG2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TSHR 1103/4885HTT 1829/4885ABCB1 812/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 TSHR 1103/4885HTT 1829/4885ABCB1 812/4885

“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.