SCHEMBL398161

SCHEMBL398161

Cn1cc(C(=O)O)c(=O)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
LMNA P02545 4/20 0.61
ALDH1A1 P00352 2/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
NR4A2 P43354 1/20 0.57
KDM4E B2RXH2 2/20 0.56
MAOB P27338 3/20 0.56
MITF O75030 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL30421484 1.00 POLB (0.61) POLBLMNAALDH1A1NPC1RAB9A
SCHEMBL535878 0.87 POLB (0.72) POLBLMNAALDH1A1NPC1RAB9A
SCHEMBL29965768 0.87 POLB (0.72) POLBLMNAALDH1A1NPC1RAB9A
SCHEMBL1549127 0.87 POLB (0.82) POLBLMNAALDH1A1NPC1RAB9A
SCHEMBL4510662 0.86 LMNA (0.65) POLBLMNAALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL2434452 0.86 POLB (0.70) POLBLMNAALDH1A1NPC1RAB9A
SCHEMBL30542063 0.85 KDM4E (0.71) POLBLMNAALDH1A1NPC1RAB9A
SCHEMBL10341064 0.85 KDM4E (0.71) POLBLMNAALDH1A1NPC1RAB9A
SCHEMBL11101956 0.84 LMNA (0.56) POLBLMNAALDH1A1NPC1RAB9A
SCHEMBL6313804 0.82 LMNA (0.62) LMNAALDH1A1KDM4EMAOB

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210308053-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 US disclosed
US-20200338063-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CFTR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-10-29 US disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
US-10231932-B2 Process of preparing pharmaceutical compositions for the treatment of CFTR mediated diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-19 US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
EP-0494978-B1 HETEROCYCLIC COMPOUNDS WYETH JOHN & BROTHER LTD (GB) 1996-02-28 EP disclosed
US-5362734-A Certain benzo-quinolizine compounds and derivatives thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1994-11-08 US disclosed
US-5225419-A Antagonist 5-hydroxytryptamine for treatment of nausea or vomiting JOHN WYETH & BROTHER, LIMITED (GB) 1993-07-06 US disclosed
EP-0494978-A1 HETEROCYCLIC COMPOUNDS. WYETH JOHN & BROTHER LTD (GB) 1992-07-22 EP disclosed
US-5096901-A PHARMACOLOGICALLY ACTIVE AMIDES AND ESTERS CONTAINING AN AZABICYCLOALKANE MOIETY JOHN WYETH & BROTHER LIMITED (GB) 1992-03-17 US disclosed
WO-1991005783-A1 HETEROCYCLIC COMPOUNDS JOHN WYETH & BROTHER LIMITED (GB) 1991-05-02 WO disclosed
EP-0172004-B1 QUINOLINONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM The Boots Company PLC (GB) 1990-03-21 EP disclosed
US-4698350-A 1-ethyl-6-fluoro-1,4-dihydro-7-(2,6-dimethyl-4-pyridinyl)-4-oxo-3-quinolinecarboxylic acid and antibacterial use thereof STERLING DRUG INC. (US) 1987-10-06 US disclosed
EP-0179239-A2 7-(Pyridinyl)-/-alkyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid having antibacterial activity and preparation thereof STERLING DRUG INC. (US) 1986-04-30 EP disclosed
EP-0168733-A2 Process for the preparation of quinolinone and naphthyridoncarboxylic acids BAYER AG (DE) 1986-01-22 EP 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 (6 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 1445/4885LMNA 2816/4885ALDH1A1 2165/4885
US-10231932-B2 Process of preparing pharmaceutical compositions for the treatment of CFTR mediated diseases CFTR, CLIC1, PKD2 POLB 1569/4885LMNA 1433/4885ALDH1A1 1941/4885
US-20210308053-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES CFTR, SLC26A4, PKD1 POLB 3588/4885LMNA 3070/4885ALDH1A1 2648/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 POLB 1445/4885LMNA 2816/4885ALDH1A1 2165/4885
US-20200338063-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CFTR MEDIATED DISEASES CFTR, CLCN2, CLIC1 POLB 2331/4885LMNA 2140/4885ALDH1A1 2559/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 1445/4885LMNA 2816/4885ALDH1A1 2165/4885

“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.