SCHEMBL477272

SCHEMBL477272

FC(F)c1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
POLB P06746 2/20 1.00
IDO1 P14902 1/20 0.66
NPSR1 Q6W5P4 2/20 0.54
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ABCB11 O95342 1/20 0.54
TP53 P04637 1/20 0.54
PKM P14618 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53
MLKL Q8NB16 3/20 0.51
GAA P10253 3/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALOX12 P18054 1/20 0.50
MASP2 O00187 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL29406845 1.00 ALDH1A1 (1.00) ALDH1A1POLBIDO1NPSR1KDM4E
SCHEMBL9675207 0.84 POLB (0.72) ALDH1A1POLBIDO1NPSR1KDM4E
SCHEMBL31210108 0.81 ALDH1A1 (0.68) ALDH1A1POLBIDO1NPSR1KDM4E
SCHEMBL3483731 0.81 ALDH1A1 (0.68) ALDH1A1POLBIDO1NPSR1KDM4E
SCHEMBL9214713 0.81 ALDH1A1 (0.68) ALDH1A1POLBIDO1NPSR1KDM4E
SCHEMBL10636343 0.80 ALDH1A1 (0.66) ALDH1A1POLBIDO1NPSR1KDM4E
SCHEMBL85832 0.79 ALDH1A1 (0.66) ALDH1A1POLBIDO1NPSR1KDM4E
SCHEMBL4921708 0.79 IDO1 (1.00) ALDH1A1POLBIDO1NPSR1KDM4E
SCHEMBL2147079 0.79 ALDH1A1 (0.66) ALDH1A1POLBIDO1NPSR1KDM4E
SCHEMBL7533794 0.79 ALDH1A1 (0.66) ALDH1A1POLBIDO1NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113745539-B Fluorine-containing non-noble metal oxygen reduction electrocatalyst and preparation method and application thereof 大连理工大学 2022-11-22 CN claimed
CN-114656405-A Preparation method of difluoromethylbenzimidazole 广州和为医药科技有限公司 2022-06-24 CN claimed
CN-113745539-A Fluorine-containing non-noble metal oxygen reduction electrocatalyst and preparation method and application thereof 大连理工大学 2021-12-03 CN claimed
EP-2817294-B1 PROCESS FOR PRODUCTION OF DFMB DERIVATIVES RHODIA OPERATIONS (FR) 2017-12-27 EP claimed
US-9458119-B2 Process for production of DFMB derivatives RHODIA OPERATIONS (FR) 2016-10-04 US claimed
US-20150005505-A1 Process for production of DFMB derivatives RHODIA OPERATIONS (FR) 2015-01-01 US claimed
EP-2817294-A1 PROCESS FOR PRODUCTION OF DFMB DERIVATIVES Rhodia Operations (FR) 2014-12-31 EP claimed
WO-2013123634-A1 PROCESS FOR PRODUCTION OF DFMB DERIVATIVES RHODIA OPERATIONS (FR) 2013-08-29 WO claimed
CN-118812553-A Fluorine-containing functionalized macrocyclic supermolecule main body molecular cup and preparation method and application thereof 上海大学 2024-10-22 CN disclosed
CN-118812553-A Fluorine-containing functionalized macrocyclic supermolecule main body molecular cup and preparation method and application thereof 上海大学 2024-10-22 CN disclosed
US-12059422-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases MEI PHARMA, INC. (US) 2024-08-13 US disclosed
CN-118063453-A Benzimidazole derivative, preparation method and application thereof, and agricultural bactericide 南京吉星生物技术开发有限公司 2024-05-24 CN disclosed
CN-114149418-B High morpholine compound, preparation method, pharmaceutical composition and application 天津医科大学 2024-03-01 CN disclosed
US-11774853-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-03 US disclosed
US-20030087882-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-05-08 US disclosed
WO-2003024899-A2 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-03-27 WO disclosed
WO-2002074738-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-26 WO disclosed
EP-0669927-A1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS ANTIVIRALS INC. (US) 1995-09-06 EP disclosed
US-5405938-A Hydrogen bonding an N-heterocyclic-substituted ribose-based polymer to a double-stranded DNA to block genetic activity, to diagnose for pathogens and to aid in genetic engineering ANTI-GENE DEVELOPMENT GROUP (US) 1995-04-11 US disclosed
WO-1994012517-A1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS ANTIVIRALS INC. (US) 1994-06-09 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 (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-12059422-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases CCNI, CCNK, CCNA1 ALDH1A1 208/4885POLB 144/4885IDO1 1496/4885
US-20030087882-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) ADAM17, ADAM9, TIMP3 ALDH1A1 750/4885POLB 1005/4885IDO1 1349/4885
US-20150005505-A1 Process for production of DFMB derivatives DAO, FGB, FOSB ALDH1A1 1453/4885POLB 431/4885IDO1 4523/4885

“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.