SCHEMBL472520

SCHEMBL472520

O=Cc1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
KIF11 P52732 1/20 0.51
ALDH1A3 P47895 3/20 0.44
VCAM1 P19320 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ALDH3A1 P30838 2/20 0.41
NPFFR1 Q9GZQ6 2/20 0.38
NPFFR2 Q9Y5X5 2/20 0.38
KMO O15229 2/20 0.38
DAO P14920 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGS2 P35354 1/20 0.38
RAB9A P51151 1/20 0.38
NOTUM Q6P988 2/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
KDR P35968 1/20 0.36
TTR P02766 1/20 0.36

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
SCHEMBL29417704 1.00 ALDH1A1 (0.57) ALDH1A1KIF11ALDH1A3VCAM1HSD17B10
SCHEMBL28229506 0.85 ALDH1A1 (0.53) ALDH1A1KIF11ALDH1A3VCAM1HSD17B10
SCHEMBL40676 0.84 ALDH1A1 (0.57) ALDH1A1KIF11ALDH1A3VCAM1HSD17B10
SCHEMBL472408 0.81 KIF11 (0.56) ALDH1A1KIF11HSD17B10KDM4EPTGS2
SCHEMBL28117888 0.81 KIF11 (0.38) ALDH1A1KIF11ALDH1A3ALDH3A1NPFFR1
SCHEMBL5188027 0.80 ALDH1A1 (0.57) ALDH1A1KIF11ALDH1A3VCAM1HSD17B10
SCHEMBL6849159 0.79 KIF11 (0.55) ALDH1A1KIF11HSD17B10KDM4EPTGS2
SCHEMBL28502765 0.79 ALDH1A1 (0.47) ALDH1A1KIF11ALDH1A3VCAM1HSD17B10
SCHEMBL17345173 0.78 KIF11 (0.53) ALDH1A1KIF11HSD17B10KDM4EPTGS2
SCHEMBL6853514 0.78 KIF11 (0.53) ALDH1A1KIF11ALDH1A3VCAM1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US claimed
CN-106414480-B Polymyxin derivatives as antimicrobial compounds 莫纳什大学 2020-08-04 CN claimed
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2017-05-18 US claimed
EP-3126376-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS Monash University (AU) 2017-02-08 EP claimed
WO-2015149131-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2015-10-08 WO claimed
EP-4680608-A1 2,6-DIHYDRO-7H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE DERIVATIVES AS ANTI-MALARIAL AGENTS MMV Medicines for Malaria Venture (CH) 2026-01-21 EP disclosed
US-20240002350-A1 PROTEIN AND LIPID THERAPEUTIC TARGETS UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2024-01-04 US disclosed
US-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2022-06-09 US disclosed
WO-2022108980-A1 PROTEIN AND LIPID THERAPEUTIC TARGETS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-27 WO disclosed
CN-109496213-B Spiro compounds and methods of making and using the same H.隆德贝克有限公司 2022-03-04 CN disclosed
CN-108601769-B Pyrazole compounds and methods of making and using the same H.隆德贝克有限公司 2021-09-03 CN disclosed
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 US disclosed
EP-0012180-A1 1,4-Dihydropyridine compounds, their preparation, pharmaceutical compositions containing said compounds and preparation of these compositions BAYER AG (DE) 1980-06-25 EP disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 US disclosed
US-4179500-A 1,4-Dihydropyridine-sugar derivatives, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1979-12-18 US disclosed
EP-0002208-A1 Nitro 1,4-dihydropyridines, medicaments containing them and their manufacture BAYER AG (DE) 1979-06-13 EP disclosed
EP-0001769-A1 Sulfur-containing esters of 1,4-dihydropyridine carboxylic acids, their preparation and pharmaceutical use BAYER AG (DE) 1979-05-16 EP disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 US disclosed
US-4044141-A CORONARY DILATING, SPASMOLYTIC, HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-08-23 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 (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-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 ALDH1A1 912/4885KIF11 4573/4885ALDH1A3 1048/4885
US-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 ALDH1A1 4098/4885KIF11 3283/4885ALDH1A3 4309/4885
US-20240002350-A1 PROTEIN AND LIPID THERAPEUTIC TARGETS PEBP1, ALOX15, ALOX15B ALDH1A1 3687/4885KIF11 4792/4885ALDH1A3 2301/4885
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS VIP, PEPD, NRDC ALDH1A1 4861/4885KIF11 4625/4885ALDH1A3 4859/4885

“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.