SCHEMBL4828176

SCHEMBL4828176

Cc1cc(Nc2cc(O)cc(Cl)c2)c2ccccc2n1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 2/20 0.56
GUSB P08236 1/20 0.56
MAPT P10636 1/20 0.56
LMNA P02545 1/20 0.54
HTT P42858 2/20 0.53
TSHR P16473 1/20 0.53
KDM4E B2RXH2 1/20 0.53
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
MEN1 O00255 1/20 0.48
CYP2C19 P33261 1/20 0.48
IGF1R P08069 1/20 0.46
OPRK1 P41145 1/20 0.46
SLC2A1 P11166 1/20 0.46

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
SCHEMBL4825454 0.84 L3MBTL1 (0.58) L3MBTL1NPC1GUSBMAPTLMNA
SCHEMBL4742006 0.82 TSHR (0.67) L3MBTL1NPC1GUSBMAPTLMNA
SCHEMBL4633311 0.82 TSHR (0.67) L3MBTL1NPC1GUSBMAPTLMNA
SCHEMBL4830001 0.82 L3MBTL1 (0.55) L3MBTL1NPC1GUSBMAPTLMNA
SCHEMBL10032067 0.82 NPC1 (0.71) L3MBTL1NPC1GUSBMAPTLMNA
Bromide SCHEMBL3980221 0.81 L3MBTL1 (0.54) L3MBTL1NPC1GUSBMAPTLMNA
SCHEMBL13845816 0.81 L3MBTL1 (0.54) L3MBTL1NPC1GUSBMAPTLMNA
SCHEMBL31673809 0.80 LMNA (0.73) L3MBTL1NPC1GUSBMAPTLMNA
SCHEMBL15101603 0.80 LMNA (0.73) L3MBTL1NPC1GUSBMAPTLMNA
SCHEMBL4832560 0.77 TSHR (0.55) L3MBTL1NPC1GUSBMAPTLMNA

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 L3MBTL1 4855/4885NPC1 1830/4885GUSB 2763/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 L3MBTL1 4855/4885NPC1 1830/4885GUSB 2763/4885

“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.