SCHEMBL21246720

SCHEMBL21246720

O=C(O)Nc1cc(Cl)ncc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 6/20 0.37
KCNQ2 O43526 6/20 0.37
KCNE1 P15382 4/20 0.37
KCNQ1 P51787 4/20 0.37
NAPRT Q6XQN6 1/20 0.37
SMARCA2 P51531 2/20 0.36
SMARCA4 P51532 2/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 3/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
S1PR2 O95136 1/20 0.34
GPR35 Q9HC97 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL20397416 0.85 KCNQ3 (0.37) KCNQ3KCNQ2KCNE1KCNQ1NAPRT
Acetic Acid SCHEMBL28092089 0.84 ALDH1A1 (0.44) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL30456319 0.83 ALDH1A1 (0.46) RAB9AMEN1KMT2APOLBNPC1
SCHEMBL27083575 0.81 RAB9A (0.38) KCNQ3KCNQ2KCNE1KCNQ1NAPRT
SCHEMBL16443989 0.81 NAPRT (0.35) KCNQ3KCNQ2KCNE1KCNQ1NAPRT
SCHEMBL16165291 0.81 KCNQ3 (0.40) KCNQ3KCNQ2KCNE1KCNQ1NAPRT
SCHEMBL1971452 0.78 GPR65 (0.43) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL1427509 0.78 NAPRT (0.35) KCNQ3KCNQ2KCNE1KCNQ1NAPRT
SCHEMBL23924532 0.76 POLB (0.40) MEN1KMT2APOLB
SCHEMBL21262226 0.76 ATR (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728267-B1 TRICYCLIC INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RES OICR (CA) 2023-09-13 EP disclosed
US-11518764-B2 Substituted heteroaryls as inhibitors of the BCL6 BTB domain protein-protein interaction ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-12-06 US disclosed
US-11242351-B2 Tricyclic inhibitors of the BCL6 BTB domain protein-protein interaction and uses thereof ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-02-08 US disclosed
US-20210053978-A1 TRICYCLIC INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2021-02-25 US disclosed
EP-3749672-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF Ontario Institute for Cancer Research (OICR) (CA) 2020-12-16 EP disclosed
EP-3728267-A1 TRICYCLIC INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF Ontario Institute for Cancer Research (OICR) (CA) 2020-10-28 EP disclosed
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-10-22 US disclosed
WO-2019153080-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-08-15 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 (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-11518764-B2 Substituted heteroaryls as inhibitors of the BCL6 BTB domain protein-protein interaction BCL6, BCL6B, BCL3 KCNQ3 3600/4885KCNQ2 3655/4885KCNE1 3092/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 KCNQ3 4051/4885KCNQ2 3988/4885KCNE1 3467/4885
US-20210053978-A1 TRICYCLIC INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 KCNQ3 4138/4885KCNQ2 4010/4885KCNE1 3602/4885
US-11242351-B2 Tricyclic inhibitors of the BCL6 BTB domain protein-protein interaction and uses thereof BCL6, BCL6B, BCL3 KCNQ3 4138/4885KCNQ2 4010/4885KCNE1 3602/4885

“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.