SCHEMBL9890969

SCHEMBL9890969

CC(=O)c1ccc(C)c(C)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34

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
SCHEMBL3048462 0.84 POLB (0.39) POLBMAPTTDP1KDM4EGABRP
SCHEMBL1149742 0.83 KDM4E (0.48) POLBMAPTTDP1KDM4EGABRP
SCHEMBL7761691 0.83 TDP1 (0.42) POLBMAPTTDP1KDM4EGABRP
SCHEMBL7049510 0.83 POLB (0.48) POLBMAPTTDP1SMN1; SMN2KDM4E
SCHEMBL27668976 0.81 GABRP (0.46) MAPTTDP1KDM4EGABRPGABRD
SCHEMBL1954506 0.81 MAPT (0.43) POLBMAPTTDP1SMN1; SMN2KDM4E
SCHEMBL10800974 0.81 KDM4E (0.47) POLBMAPTTDP1KDM4EGABRP
SCHEMBL11457957 0.81 POLB (0.37) POLBMAPTTDP1KDM4EGABRP
SCHEMBL7177477 0.79 SMN1; SMN2 (0.39) MAPTTDP1SMN1; SMN2KDM4EBRPF1
SCHEMBL24507277 0.79 CES2 (0.38) SMN1; SMN2BRD4

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-20120142929-A1 PROCESS FOR PREPARING SULFONYL QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 US disclosed
US-7375218-B2 Process for preparing macrocyclic HCV protease inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-20 US disclosed
US-4666499-A Herbicidal 2 methyl-4-phosphinylcinnolinium hydroxide inner salts E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-05-19 US disclosed
EP-0212726-A2 Herbicidal cinnoline compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-03-04 EP disclosed
US-4620000-A Method for preparing 4-hydroxycinnolines in a pH controlled system SHELL OIL COMPANY (US) 1986-10-28 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 (3 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-20120142929-A1 PROCESS FOR PREPARING SULFONYL QUINOLINES GYS2, CYP3A7, GBA1 POLB 1906/4885MAPT 4747/4885TDP1 4232/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 POLB 485/4885MAPT 4553/4885TDP1 4488/4885
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 POLB 523/4885MAPT 4715/4885TDP1 4116/4885

“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.