SCHEMBL20181043

SCHEMBL20181043

N#Cc1ccc(Oc2ccc(=O)[nH]c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
PGR P06401 3/20 0.48
MAPT P10636 2/20 0.47
CYP19A1 P11511 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
IL18 Q14116 1/20 0.47
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
MMP14 P50281 1/20 0.40
ALK Q9UM73 1/20 0.39

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
SCHEMBL335180 0.78
SCHEMBL7041250 0.78 PARP15 (0.63) PARP15PARP10PARP2PGRMAPT
SCHEMBL8852392 0.78 PARP15 (0.63) PARP15PARP10PARP2PGRMAPT
SCHEMBL3179628 0.76 ALDH1A1 (0.56) PARP10MAPTMEN1POLBMAPK1
SCHEMBL29582194 0.72 PARP15 (0.57) PARP15PARP10PARP2PGRMAPT
SCHEMBL378478 0.70 CYP19A1 (0.63) PARP15PARP10PARP2PGRMAPT
SCHEMBL4733455 0.69 CYP19A1 (0.53) PARP15PARP10PARP2PGRMAPT
SCHEMBL7077780 0.69 PARP15 (0.53) PARP15PARP10PARP2PGRMAPT
SCHEMBL921496 0.69 MAOA (0.56) PARP15PARP10PARP2MAPTCYP19A1
SCHEMBL4315032 0.69 CA12 (0.73) PARP15PARP10PARP2MAPTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669237-B2 4-((6-bromopyridin-3-yl)oxy)benzonitrile and processes of preparation DOW AGROSCIENCES LLC (US) 2020-06-02 US disclosed
US-20190284139-A1 4-((6-BROMOPYRIDIN-3-YL)OXY)BENZONITRILE AND PROCESSES OF PREPARATION CORTEVA AGRISCIENCE LLC 2019-09-19 US disclosed
WO-2018094128-A1 4-((6-BROMOPYRIDIN-3-YL)OXY)BENZONITRILE AND PROCESSES OF PREPARATION VPS-3, INC. (US) 2018-05-24 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 (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-20190284139-A1 4-((6-BROMOPYRIDIN-3-YL)OXY)BENZONITRILE AND PROCESSES OF PREPARATION CYP3A4, BRD4, CYP4B1 PARP15 1407/4885PARP10 1674/4885PARP2 585/4885
US-10669237-B2 4-((6-bromopyridin-3-yl)oxy)benzonitrile and processes of preparation CYP3A4, BRD4, CYP4B1 PARP15 1407/4885PARP10 1674/4885PARP2 585/4885

“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.