SCHEMBL524334

SCHEMBL524334

COc1c(F)cc(C#N)cc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.43
TTR P02766 1/20 0.37
ALB P02768 1/20 0.37
ACACB O00763 1/20 0.36
ACLY P53396 1/20 0.36
TUBB1 Q9H4B7 3/20 0.36
RORC P51449 2/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
DBH P09172 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
GRM5 P41594 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1B Q00975 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
SCHEMBL5950343 0.86 ACLY (0.45) GPR35TTRALBACLYRORC
SCHEMBL2309558 0.86 GPR35 (0.38) GPR35TTRALBACACBACLY
SCHEMBL20944039 0.79 GPR35 (0.47) GPR35ACACBTUBB1RORC
SCHEMBL29159716 0.78 KIF11 (0.37) GPR35TTRALB
SCHEMBL14658868 0.77 ACACB (0.36) ACACBTUBB1PDGFRBPDGFRADBH
SCHEMBL3527606 0.77 ACACB (0.39) ACACBTUBB1PDGFRBPDGFRADBH
SCHEMBL29582124 0.77 EPAS1 (0.40) TTRALB
SCHEMBL5018947 0.77 TRPV4 (0.38) GPR35TTRALBTUBB1
SCHEMBL14871817 0.77 AR (0.40) GPR35TTRALBTUBB1GRM5
SCHEMBL31255629 0.77 HRH3 (0.38) GPR35GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117613388-B Electrolyte and sodium ion battery 湖州超钠新能源科技有限公司 2024-05-07 CN claimed
CN-117613388-A Electrolyte and sodium ion battery 湖州超钠新能源科技有限公司 2024-02-27 CN claimed
CN-117613388-B Electrolyte and sodium ion battery 湖州超钠新能源科技有限公司 2024-05-07 CN disclosed
CN-117613388-A Electrolyte and sodium ion battery 湖州超钠新能源科技有限公司 2024-02-27 CN disclosed
US-9187478-B2 Substituted naphthyridines and their use as medicaments Boehringer Ingellheim International GmbH (DE) 2015-11-17 US disclosed
EP-2528915-B1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-05-07 US disclosed
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 US disclosed
EP-2528915-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
EP-0288488-A4 DOPAMINE- -HYDROXYLASE INHIBITORS 1990-09-12 EP disclosed
WO-1989006125-A1 4-ARALKYL-5-SUBSTITUTED-1,2,4-TRIAZOLE-5-THIOLS SMITHKLINE BECKMAN CORPORATION (US) 1989-07-13 WO disclosed
EP-0323737-A1 4-Aralkyl-5-substituted-1,2,4-triazole-5-thiols SMITHKLINE BEECHAM CORPORATION (US) 1989-07-12 EP disclosed
US-4810811-A CHEMICAL INTERMEDIATES SMITHKLINE BECKMAN CORPORATION (US) 1989-03-07 US disclosed
EP-0288488-A1 DOPAMINE- -HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1988-11-02 EP disclosed
EP-0260814-A1 Dopamine-Beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1988-03-23 EP disclosed
WO-1988001267-A1 DOPAMINE-ss-HYDROXYLASE INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1988-02-25 WO disclosed
US-4707488-A HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1987-11-17 US disclosed
EP-0191621-A2 Dopamine-bêta-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1986-08-20 EP 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-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 GPR35 1865/4885TTR 2444/4885ALB 3349/4885
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 GPR35 1865/4885TTR 2444/4885ALB 3349/4885

“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.