SCHEMBL4834584

SCHEMBL4834584

CC(C)c1cc(Cl)c2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MAPT P10636 5/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 2/20 0.40
DHODH Q02127 1/20 0.40
GPR3 P46089 1/20 0.38
BACE1 P56817 1/20 0.38
NCF1 P14598 1/20 0.38
HTR1B P28222 1/20 0.38

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
SCHEMBL7849358 0.83 TLR8 (0.42) MAOAMAOBMAPTKDM4EMEN1
SCHEMBL29632453 0.81 MAOA (0.45) MAOAMAOBMAPTKDM4EMAPK1
SCHEMBL2600753 0.79 CYP1A2 (0.60) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL12390044 0.79 CYP1A2 (0.41) MAOAMAOBKDM4ETDP1ALDH1A1
SCHEMBL23877259 0.78 MYC (0.44) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL3969147 0.78 CYP1A2 (0.40) MAOAMAOBMAPTKDM4ETDP1
SCHEMBL2609292 0.78 CYP1A2 (0.38) MAOAMAOBMAPTKDM4EMAPK1
SCHEMBL25519327 0.78 NCF1 (0.59) MAOAMAPTKDM4ETDP1MEN1
SCHEMBL21027636 0.76 TNKS2 (0.44) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL1102413 0.76 ACACA (0.50) MAPTKDM4EMAPK1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117945995-A Alkylated nitrogen-containing heterocyclic compound and preparation method and application thereof 中国科学院青海盐湖研究所 2024-04-30 CN 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-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 MAOA 2381/4885MAOB 1717/4885MAPT 3170/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 MAOA 2381/4885MAOB 1717/4885MAPT 3170/4885

“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.