SCHEMBL930657

SCHEMBL930657

COc1c(C)cc(Br)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 2/20 0.36
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
MAPT P10636 4/20 0.34
ACLY P53396 1/20 0.34
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ACHE P22303 1/20 0.33
NQO2 P16083 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL10986 0.86 CA2 (0.41) HSD17B10CA2CA4MAPTACLY
SCHEMBL363341 0.84 KDM4E (0.45) KDM4EPKMHSD17B10CA2CA4
Iodomethane SCHEMBL4667431 0.82 HSD17B10 (0.38) HSD17B10CA2CA4MAPTACLY
Hydrochloric Acid SCHEMBL28586799 0.81 KDM4E (0.44) KDM4EPKMHSD17B10CA2CA4
SCHEMBL4735982 0.81 KDM4E (0.44) KDM4EPKMHSD17B10CA2CA4
SCHEMBL17875684 0.80 HSD17B10 (0.50) HSD17B10CA2CA4MAPTHTT
SCHEMBL31500460 0.78 ALOX15 (0.47) CA2CA4MAPTHTTACHE
SCHEMBL26927713 0.78 ALOX15 (0.47) CA2CA4MAPTHTTACHE
SCHEMBL17662618 0.77 ACHE (0.46) MAPTALDH1A1ACHESMN1; SMN2MEN1
SCHEMBL3836775 0.77 RAPGEF4 (0.38) MAPTALDH1A1ACHENQO2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 US disclosed
US-20220056019-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2022-02-24 US disclosed
EP-3852736-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2021-07-28 EP disclosed
CN-113056265-A Farnesoin X receptor agonists and uses thereof 梅塔科林公司 2021-06-29 CN disclosed
WO-2020061118-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed
WO-2020061117-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed
WO-2016020786-A1 IMIDAZOPYRIDAZINE COMPOUNDS PFIZER INC. (US) 2016-02-11 WO disclosed
US-20110319426-A1 Substituted Isoindoles ASTRAZENECA AB (SE) 2011-12-29 US disclosed
US-8030500-B2 Substituted isoindoles for the treatment and/or prevention of Aβ- related pathologies ASTRAZENECA AB (SE) 2011-10-04 US disclosed
EP-2367814-A1 NEW COMPOUNDS 578 AstraZeneca AB (SE) 2011-09-28 EP disclosed
WO-2011002409-A1 5H-PYRROLO[3,4-£>]PYRAZIN-7-AMINE DERIVATIVES INHIBITORS OF BETA-SECRETASE ASTRAZENECA AB (SE) 2011-01-06 WO disclosed
WO-2011002409-A1 5H-PYRROLO[3,4-£>]PYRAZIN-7-AMINE DERIVATIVES INHIBITORS OF BETA-SECRETASE ASTRAZENECA AB (SE) 2011-01-06 WO disclosed
US-20100125082-A1 NEW COMPOUNDS 578 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
WO-2010056196-A1 NEW COMPOUNDS 578 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 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 (5 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-20220056019-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 KDM4E 4790/4885PKM 3273/4885HSD17B10 308/4885
US-20100125082-A1 NEW COMPOUNDS 578 PSEN1, PSEN2, BACE1 KDM4E 4149/4885PKM 1841/4885HSD17B10 2537/4885
US-20100125081-A1 NEW COMPOUNDS 574 PSEN1, PSEN2, BACE1 KDM4E 3434/4885PKM 1780/4885HSD17B10 2325/4885
US-20110319426-A1 Substituted Isoindoles PSEN2, PSEN1, SNCA KDM4E 4394/4885PKM 1695/4885HSD17B10 2018/4885
US-20230148402-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B KDM4E 406/4885PKM 1016/4885HSD17B10 844/4885

“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.