SCHEMBL7687780

SCHEMBL7687780

O=C(Cl)c1ncc(Cl)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.36
KCNQ2 O43526 3/20 0.36
KCNE1 P15382 2/20 0.36
KCNQ1 P51787 2/20 0.36
BACE1 P56817 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
DHODH Q02127 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMO O15229 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
SCHEMBL875231 0.84 HCAR2 (0.42) BACE1DHODHBACE2S1PR1S1PR3
Hydrochloric Acid SCHEMBL7687784 0.82 HCAR2 (0.41) BACE1DHODHBACE2S1PR1S1PR3
SCHEMBL7910786 0.82 BACE1 (0.39) BACE1BACE2S1PR1S1PR3
SCHEMBL17480173 0.82 BACE1 (0.38) KCNQ3KCNQ2BACE1DHODHBACE2
SCHEMBL31514824 0.82 DPP4 (0.39) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL257014 0.82 DPP4 (0.39) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL3580724 0.79 L3MBTL1 (0.43) SMN1; SMN2NPC1ALDH1A1TSHRRAB9A
SCHEMBL1661089 0.78 DGAT1 (0.35) BACE1NPC1ALDH1A1RAB9AHCAR2
SCHEMBL12780507 0.78 BACE1 (0.36) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL31255330 0.78 ALDH1A1 (0.44) BACE1ALDH1A1BACE2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126163-A Benzo heterocyclic compound, and preparation method and application thereof 中以海德人工智能药物研发股份有限公司 2023-11-28 CN disclosed
EP-3036235-B1 NEW BIS-AMIDO PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2017-04-19 EP disclosed
EP-3036235-B1 NEW BIS-AMIDO PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2017-04-19 EP disclosed
US-9249151-B2 Bis-amido pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-02 US disclosed
US-9249151-B2 Bis-amido pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-02 US disclosed
US-9249151-B2 Bis-amido pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-02 US disclosed
US-20150057286-A1 NEW BIS-AMIDO PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-26 US disclosed
US-20150057286-A1 NEW BIS-AMIDO PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-26 US disclosed
US-20150057286-A1 NEW BIS-AMIDO PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-26 US disclosed
WO-2015025018-A1 NEW BIS-AMIDO PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-26 WO disclosed
US-6274536-B1 CROPS, AGRICULTURE; PRE- AND POSTEMERGENCE SYNGENTA CROP PROTECTION, INC. 2001-08-14 US disclosed
US-6204221-B1 Herbicides SYNGENTA CROP PROTECTION, INC. 2001-03-20 US disclosed
EP-1080088-A1 PYRIDYL-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS HERBICIDES Novartis AG (CH) 2001-03-07 EP disclosed
CN-1250446-A Pyrazole derivatives as herbicides NOVARTIS AG (CH) 2000-04-12 CN disclosed
EP-0966461-A1 PYRAZOLE DERIVATIVES AS HERBICIDES Novartis AG (CH) 1999-12-29 EP disclosed
CN-1237166-A Pyrazole derivatives useful as herbicides NOVARTIS AG (CH) 1999-12-01 CN disclosed
WO-1999059990-A1 PYRIDYL-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS HERBICIDES NOVARTIS AG (CH) 1999-11-25 WO disclosed
EP-0941222-A2 PYRAZOLE DERIVATIVES USEFUL AS HERBICIDES Novartis AG (CH) 1999-09-15 EP disclosed
WO-1998042698-A1 PYRAZOLE DERIVATIVES AS HERBICIDES NOVARTIS AG (CH) 1998-10-01 WO disclosed
WO-1998021199-A2 PYRAZOLE DERIVATIVES USEFUL AS HERBICIDES NOVARTIS AG (CH) 1998-05-22 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 (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-20150057286-A1 NEW BIS-AMIDO PYRIDINES SMARCC1, MKI67, SMARCC2 KCNQ3 4215/4885KCNQ2 3912/4885KCNE1 3954/4885

“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.