SCHEMBL5128474

SCHEMBL5128474

Cc1cc(Nc2cc(CF)cc(OCCCNC(C)(C)CCc3ccccc3)c2)c2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.42
NCF1 P14598 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 2/20 0.38
GUSB P08236 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
DNMT1 P26358 1/20 0.37
DNMT3A Q9Y6K1 1/20 0.37
GALR3 O60755 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL6330731 0.89 TSHR (0.43) TSHRHTTLMNANCF1KDM4E
SCHEMBL13845817 0.81 HTT (0.52) TSHRHTTLMNANCF1KDM4E
SCHEMBL14306234 0.80 TSHR (0.57) TSHRHTTLMNANCF1KDM4E
SCHEMBL5128481 0.80 TSHR (0.45) TSHRHTTLMNANCF1KDM4E
SCHEMBL6331255 0.76 TSHR (0.61) TSHRHTTLMNANCF1KDM4E
SCHEMBL4830085 0.76 TSHR (0.46) TSHRHTTLMNANCF1KDM4E
SCHEMBL4829993 0.75 TSHR (0.47) TSHRHTTLMNANCF1KDM4E
SCHEMBL4834583 0.74 TSHR (0.61) TSHRHTTLMNANCF1NPC1
SCHEMBL4832247 0.73 TSHR (0.60) TSHRHTTLMNANCF1NPC1
SCHEMBL4825278 0.73 TSHR (0.47) TSHRHTTLMNANCF1KDM4E

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 TSHR 1103/4885HTT 1829/4885LMNA 3004/4885

“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.