SCHEMBL20810

SCHEMBL20810

CC(=O)c1ccc(C(F)(F)F)cc1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
KDM4E B2RXH2 3/20 0.71
HPGD P15428 3/20 0.71
HSD17B10 Q99714 3/20 0.71
CFTR P13569 1/20 0.68
CES2 O00748 2/20 0.50
USP2 O75604 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS1 P23219 4/20 0.44
TRPV4 Q9HBA0 1/20 0.44
PKM P14618 1/20 0.43
P2RX1 P51575 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.43
GAA P10253 2/20 0.42
RAB9A P51151 1/20 0.41
SORT1 Q99523 1/20 0.41
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL29417334 1.00 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL11841438 0.85 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL1722083 0.83 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL165304 0.83 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL955863 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL21852902 0.82 CES2 (0.55) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL24137114 0.81 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL18534932 0.81 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL18291815 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL1451351 0.81 CFTR (1.00) ALDH1A1KDM4EHPGDHSD17B10CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144399-A1 QUINOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
US-20220388969-A1 SUBSTITUTED 3,4-DIHYDROQUINAZOLINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-12-08 US disclosed
US-20220348549-A1 QUINAZOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-11-03 US disclosed
EP-4038055-A1 SUBSTITUTED 3,4-DIHYDROQUINAZOLINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2022-08-10 EP disclosed
EP-4021895-A1 NOVEL QUINAZOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2022-07-06 EP disclosed
EP-4021441-A1 MEMBRANE-ACTIVE ANTI-BACTERIAL COMPOUNDS AND USES THEREOF Trustees of Dartmouth College (US) 2022-07-06 EP disclosed
WO-2021063856-A1 SUBSTITUTED 3,4-DIHYDROQUINAZOLINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-04-08 WO disclosed
WO-2021042046-A1 MEMBRANE-ACTIVE ANTI-BACTERIAL COMPOUNDS AND USES THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2021-03-04 WO disclosed
WO-2021042046-A1 MEMBRANE-ACTIVE ANTI-BACTERIAL COMPOUNDS AND USES THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2021-03-04 WO disclosed
WO-2021037868-A1 NOVEL QUINAZOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-03-04 WO disclosed
US-7312248-B2 Control of parasites in animals by the use of novel trifluoromethanesulfonanilide oxime ether derivatives SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2007-12-25 US disclosed
WO-2007116314-A1 N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES SCHERING-PLOUGH LTD. (US) 2007-10-18 WO disclosed
US-20070238700-A1 N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES SCHERING-PLOUGH LTD. (CH) 2007-10-11 US disclosed
EP-1799636-A2 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES Schering-Plough Ltd. (CH) 2007-06-27 EP disclosed
WO-2006034333-A2 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES SCHERING-PLOUGH LTD. (CH) 2006-03-30 WO disclosed
US-20060063841-A1 Parasiticides; nematocides; crop protection SCHERING-PLOUGH LTD. (CH) 2006-03-23 US disclosed
US-5214059-A Dermatitis, psoriasis HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-05-25 US disclosed
US-5166170-A 2-(AMINOARYL) INDOLES AND INDOLINES AS TOPICAL ANTIINFLAMMATORY AGENTS FOR THE TREATMENT OF SKIN DISORDERS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-11-24 US disclosed
EP-0406734-A2 2-(Aminoaryl)indoles and indolines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-01-09 EP disclosed
US-3987047-A ANORETICS BOEHRINGER INGELHEIM GMBH (DT) 1976-10-19 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 (5 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-20060063841-A1 Parasiticides; nematocides; crop protection TRHDE, DDT, EPHX1 ALDH1A1 4339/4885KDM4E 403/4885HPGD 1936/4885
US-20230144399-A1 QUINOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE RECQL, SLC10A1, UGT1A1 ALDH1A1 405/4885KDM4E 2574/4885HPGD 1224/4885
US-20070238700-A1 N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES NAT1, NGLY1, ELANE ALDH1A1 894/4885KDM4E 1150/4885HPGD 1426/4885
US-20220348549-A1 QUINAZOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HAVCR2, RECQL, SLC10A1 ALDH1A1 713/4885KDM4E 2808/4885HPGD 1254/4885
US-20220388969-A1 SUBSTITUTED 3,4-DIHYDROQUINAZOLINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP3A43, CYP2F1 ALDH1A1 238/4885KDM4E 1655/4885HPGD 1005/4885

“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.