SCHEMBL1697019

SCHEMBL1697019

COC(=O)c1cc(C(=O)CBr)cn1-c1ncccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
MALT1 Q9UDY8 5/20 0.38
RBP4 P02753 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL1697025 0.86 CYP1A2 (0.43) CYP1A2CYP2C19POLBPKMGAA
SCHEMBL339159 0.82 POLB (0.41) CYP1A2CYP2C19POLBPKMGAA
SCHEMBL1697023 0.78 ALDH1A1 (0.35) CYP1A2CYP2C19POLBPKMTSHR
SCHEMBL341689 0.73 DHODH (0.38) CYP1A2CYP2C19POLBTSHRMALT1
SCHEMBL28802119 0.72 ALDH1A1 (0.38) CYP1A2CYP2C19POLBMALT1RBP4
SCHEMBL23249321 0.71 DHODH (0.45) CYP1A2CYP2C19POLBPKMGAA
SCHEMBL29504162 0.71 DHODH (0.45) CYP1A2CYP2C19POLBPKMGAA
SCHEMBL384694 0.70 ALDH1A1 (0.45) CYP1A2CYP2C19PKMMALT1RBP4
Acetonitrile SCHEMBL27922454 0.70 BDKRB1 (0.40) MALT1RBP4ALDH1A1KMT2AKDM4E
SCHEMBL27899576 0.70 F2 (0.46) CYP1A2CYP2C19POLBMALT1RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582691-B1 ANTHRANILIC ACID DERIVATIVES BAYER IP GMBH (DE) 2017-05-10 EP disclosed
US-8980886-B2 Anthranilic acid derivatives BAYER CROPSCIENCE AG (DE) 2015-03-17 US disclosed
EP-2582691-A1 ANTHRANILIC ACID DERIVATIVES Bayer Intellectual Property GmbH (DE) 2013-04-24 EP disclosed
CN-103068814-A Anthranilic acid derivatives BAYER CROPSCIENCE AG 2013-04-24 CN disclosed
WO-2011157653-A1 ANTHRANILIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-12-22 WO disclosed
US-20110312953-A1 ANTHRANILIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-12-22 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 (1 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-20110312953-A1 ANTHRANILIC ACID DERIVATIVES ANTXR2, NQO2, ACLY CYP1A2 112/4885CYP2C19 659/4885POLB 3603/4885

“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.