SCHEMBL2568058

SCHEMBL2568058

O=[N+]([O-])c1ccc(OCC(F)(F)F)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
HPGD P15428 4/20 0.54
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PDE7A Q13946 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
PMM2 O15305 1/20 0.44
MPI P34949 1/20 0.44

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
SCHEMBL10970839 0.86 MPI (0.47) MAPTHPGDLMNASMN1; SMN2RAB9A
SCHEMBL2563093 0.83 S1PR4 (0.53) MAPTRAB9AALDH1A1PDE7ATDP1
SCHEMBL21497160 0.83 CYP1A2 (0.49) MAPTLMNAALDH1A1KMT2ACYP1A2
SCHEMBL1772198 0.83 HSPB1 (0.52) MAPTHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL14956462 0.83 ALDH1A1 (0.48) MAPTHPGDLMNASMN1; SMN2RAB9A
SCHEMBL34473905 0.83 MAPT (0.62) MAPTHPGDLMNASMN1; SMN2RAB9A
SCHEMBL7786795 0.82 MAPT (0.53) MAPTHPGDLMNASMN1; SMN2RAB9A
SCHEMBL2560734 0.82 ALDH1A1 (0.50) MAPTHPGDSMN1; SMN2RAB9AALDH1A1
SCHEMBL6704146 0.82 MPI (0.42) MAPTALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL10353586 0.82 MAPT (0.46) MAPTHPGDLMNASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
US-10196365-B2 Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof ARROMAX PHARMATECH CO., LTD. (CN) 2019-02-05 US disclosed
CN-105705493-B Quinazoline derivative, preparation method, pharmaceutical composition and application thereof 安润医药科技(苏州)有限公司 2017-11-28 CN disclosed
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2017-08-31 US disclosed
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2017-08-31 US disclosed
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2017-08-31 US disclosed
EP-3181553-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Arromax Pharmatech Co., Ltd. (CN) 2017-06-21 EP disclosed
EP-3181553-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Arromax Pharmatech Co., Ltd. (CN) 2017-06-21 EP disclosed
CN-104039149-B Boron-containing small molecules 安纳考尔医药公司 2016-11-16 CN disclosed
WO-2016023217-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 安润医药科技(苏州)有限公司 2016-02-18 WO disclosed
US-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed
US-6255349-B1 PREVENTION REPRODUCTION; VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
EP-0052473-B1 N-SUBSTITUTED PHENYL-1-METHYLCYCLOPROPANECARBOXAMIDES, THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-22 EP disclosed
US-4447260-A N-Substituted phenyl-1-methylcyclopropanecarboxamides, and their herbicidal use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-08 US disclosed
EP-0052473-A2 N-Substituted phenyl-1-methylcyclopropanecarboxamides, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-05-26 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 (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-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF WEE1, WEE2, EGFR MAPT 4352/4885HPGD 2519/4885LMNA 4653/4885
US-10196365-B2 Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof WEE1, WEE2, EGFR MAPT 4352/4885HPGD 2519/4885LMNA 4653/4885

“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.