SCHEMBL4048274

SCHEMBL4048274

CCc1cccc2cc(C(=O)O)[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.60
DAO P14920 5/20 0.58
HPGD P15428 4/20 0.57
HSD17B10 Q99714 3/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 1/20 0.57
USP2 O75604 1/20 0.57
KMT2A Q03164 1/20 0.57
APEX1 P27695 1/20 0.55
KDM4E B2RXH2 5/20 0.50
MAPT P10636 1/20 0.50
SRD5A2 P31213 1/20 0.50
EIF4A3 P38919 1/20 0.47
NSD2 O96028 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
PIN1 Q13526 1/20 0.42
LMNA P02545 2/20 0.42
SMAD3 P84022 1/20 0.40
HRH4 Q9H3N8 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
SCHEMBL6185791 0.85 HSD17B10 (0.55) FLT3DAOHPGDHSD17B10ALDH1A1
SCHEMBL6521765 0.85 HSD17B10 (0.55) FLT3DAOHPGDHSD17B10ALDH1A1
SCHEMBL6529714 0.84 HPGD (0.51) FLT3DAOHPGDHSD17B10ALDH1A1
SCHEMBL2450985 0.83 HSD17B10 (0.53) FLT3DAOHPGDHSD17B10ALDH1A1
SCHEMBL9816343 0.82 HPGD (0.49) FLT3DAOHPGDHSD17B10ALDH1A1
SCHEMBL4045458 0.81 RAB9A (0.59) FLT3DAOHPGDHSD17B10ALDH1A1
SCHEMBL29291199 0.80 HSD17B10 (0.50) FLT3DAOHPGDHSD17B10ALDH1A1
SCHEMBL2042234 0.79 NSD2 (0.66) DAOHPGDHSD17B10ALDH1A1MEN1
SCHEMBL17136028 0.79 HSD17B10 (0.64) DAOHPGDHSD17B10ALDH1A1MEN1
SCHEMBL9816498 0.78 RHEB (0.48) FLT3DAOHPGDHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed
CN-107849015-B Benzimidazole derivatives as PAD4 inhibitors 葛兰素知识产权发展有限公司 2021-03-19 CN disclosed
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 US disclosed
US-20200095227-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-26 US disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 US disclosed
US-20180297983-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-18 US disclosed
EP-3298003-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-03-28 EP disclosed
CN-107849015-A benzimidazole derivatives as PAD4 inhibitors 葛兰素知识产权发展有限公司 2018-03-27 CN disclosed
WO-2016185279-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-11-24 WO disclosed
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 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 (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-20180297983-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS PADI4, PADI1, PADI2 FLT3 338/4885DAO 951/4885HPGD 2977/4885
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 FLT3 338/4885DAO 951/4885HPGD 2977/4885
US-20200095227-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS PADI4, PADI1, PADI2 FLT3 338/4885DAO 951/4885HPGD 2977/4885
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 FLT3 338/4885DAO 951/4885HPGD 2977/4885

“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.