SCHEMBL3549347

SCHEMBL3549347

Nc1cc(C(F)(F)F)c(Cl)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 1/20 0.50
NOTUM Q6P988 2/20 0.43
CYP3A4 P08684 1/20 0.42
IDO1 P14902 1/20 0.42
KEAP1 Q14145 1/20 0.42
ASPH Q12797 1/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.40
KDR P35968 1/20 0.40
GFER P55789 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL16528992 0.93 ALDH1A1 (0.50) CFTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28747469 0.85 NOTUM (0.48) KDM4EALDH1A1HPGDHSD17B10NOTUM
SCHEMBL29702028 0.85 NOTUM (0.48) KDM4EALDH1A1HPGDHSD17B10NOTUM
SCHEMBL23040875 0.84 CFTR (0.45) CFTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29417318 0.84 CFTR (0.45) CFTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL23040878 0.80 CFTR (0.68) CFTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29398417 0.80 NOTUM (0.44) KDM4EALDH1A1NOTUMKEAP1ASPH
SCHEMBL22578998 0.80 CFTR (0.52) CFTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL22203101 0.80 NOTUM (0.44) KDM4EALDH1A1NOTUMKEAP1ASPH
SCHEMBL21666169 0.79 CFTR (0.51) CFTRKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12473291-B2 Benzodiazepine compound, preparation method therefor, and use thereof in medicine WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2025-11-18 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
US-20220324867-A1 BENZODIAZEPINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2022-10-13 US 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-3992194-A1 BENZODIAZEPINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE West China Hospital, Sichuan University (CN) 2022-05-04 EP disclosed
CN-114144401-A Novel quinazoline compounds for the treatment and prevention of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2022-03-04 CN disclosed
CN-112142746-B Benzodiazepine compound, preparation method and medical application thereof 四川大学华西医院 2021-09-24 CN 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
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
CN-112142746-A Benzodiazepine compound, preparation method and medical application thereof 四川大学华西医院 2020-12-29 CN disclosed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 WO 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 (4 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-20220324867-A1 BENZODIAZEPINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE GABRA1, GABRA4, GABRR1 CFTR 2279/4885KDM4E 833/4885ALDH1A1 1224/4885
US-20220348549-A1 QUINAZOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HAVCR2, RECQL, SLC10A1 CFTR 619/4885KDM4E 2808/4885ALDH1A1 713/4885
US-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 CFTR 2306/4885KDM4E 1734/4885ALDH1A1 2027/4885
US-12473291-B2 Benzodiazepine compound, preparation method therefor, and use thereof in medicine GABRA1, GABRA4, GABRR1 CFTR 2279/4885KDM4E 833/4885ALDH1A1 1224/4885

“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.