SCHEMBL360711

SCHEMBL360711

O=C(Cc1ccccc1)c1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.69
KMT2A Q03164 3/20 0.59
LMNA P02545 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
GAA P10253 2/20 0.58
ALDH1A1 P00352 2/20 0.58
APP P05067 1/20 0.58
HCAR3 P49019 1/20 0.58
HCAR2 Q8TDS4 1/20 0.58
NAPRT Q6XQN6 1/20 0.58
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 1/20 0.55
GPR52 Q9Y2T5 1/20 0.54
EPHX2 P34913 1/20 0.54
PLOD3 O60568 1/20 0.53
PLOD1 Q02809 1/20 0.53

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
Bromide SCHEMBL11040809 0.98 PLOD2 (0.67) PLOD2KMT2ALMNATDP1GAA
Hydrochloric Acid SCHEMBL11169565 0.98 PLOD2 (0.67) PLOD2KMT2ALMNATDP1GAA
SCHEMBL17672056 0.91 NAPRT (0.65) PLOD2KMT2ALMNATDP1GAA
SCHEMBL31326722 0.91 NAPRT (0.65) PLOD2KMT2ALMNATDP1GAA
SCHEMBL3059074 0.89 PLOD2 (0.59) PLOD2KMT2ALMNATDP1GAA
SCHEMBL1515767 0.89 NAPRT (0.68) PLOD2KMT2ALMNATDP1GAA
Hydrochloric Acid SCHEMBL27958148 0.88 NAPRT (0.66) PLOD2KMT2ALMNATDP1GAA
SCHEMBL4744539 0.86 PLOD2 (0.56) PLOD2KMT2ALMNATDP1GAA
SCHEMBL6501915 0.86 RAB9A (0.66) PLOD2KMT2ALMNATDP1GAA
SCHEMBL5424552 0.85 MAPT (0.57) PLOD2KMT2ALMNAGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582690-B1 PROCESS FOR PREPARATION OF 2, 3-DIARYL-5-SUBSTITUTED PYRIDINES AND THEIR INTERMEDIATES GLENMARK GENERICS LTD (IN) 2018-07-25 EP disclosed
US-9283229-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-03-15 US disclosed
US-9283213-B2 Dihydropyridin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors and neurokinin-3 receptor antagonists NIVALIS THERAPEUTICS, INC. (US) 2016-03-15 US disclosed
EP-2592934-B1 NOVEL DIHYDROPYRIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS AND NEUROKININ-3 RECEPTOR ANTAGONISTS NIVALIS THERAPEUTICS INC (US) 2015-08-26 EP disclosed
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2015-08-13 US disclosed
US-9067893-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2015-06-30 US disclosed
US-20150157616-A1 Novel Dihydropyridin-2(1H)-One Compounds as S-Nitrosoglutathione Reductase Inhibitors and Neurokinin-3 Receptor Antagonists NIVALIS THERAPEUTICS, INC. 2015-06-11 US disclosed
US-8946434-B2 Dihydropyridin-2(1H)-one compound as S-nirtosoglutathione reductase inhibitors and neurokinin-3 receptor antagonists N30 PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
US-20140235640-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-08-21 US disclosed
US-8741915-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
EP-0082111-A2 Process for the preparation of imidazoles CIBA-GEIGY AG (CH) 1983-06-22 EP disclosed
EP-0004648-B1 MERCAPTO-IMIDAZOLE DERIVATIVES, THEIR PREPARATION, MERCAPTO-IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES AND THEIR PHARMACEUTICAL COMPOSITIONS CIBA-GEIGY AG (CH) 1982-08-25 EP disclosed
EP-0046451-A2 Diaryl-imidazole compounds, methods for their preparation, pharmaceutical drugs containing them and their use CIBA-GEIGY AG (CH) 1982-02-24 EP disclosed
EP-0045081-A2 Trisubstituted imidazole derivatives, processes for preparing them, pharmaceutical compositions containing them, and their use CIBA-GEIGY AG (CH) 1982-02-03 EP disclosed
US-4308277-A IMMUNOREGULATORY, ANTITHROMBOTIC, ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1981-12-29 US disclosed
EP-0019688-A1 Diaza compounds and process for their preparation CIBA-GEIGY AG (CH) 1980-12-10 EP disclosed
EP-0004648-A2 Mercapto-imidazole derivatives, their preparation, mercapto-imidazole derivatives for the treatment of inflammatory diseases and their pharmaceutical compositions CIBA-GEIGY AG (CH) 1979-10-17 EP disclosed
US-4159338-A ANTIARTHRITIC, ANALGESIC E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-06-26 US disclosed
US-4128651-A Bis-quaternary pyridinium-2-aldoxime salts and a process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-12-05 US disclosed
US-3940486-A Imidazole derivatives in the treatment of pain CIBA-GEIGY CORPORATION (US) 1976-02-24 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 (3 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-20140235640-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 PLOD2 2431/4885KMT2A 3962/4885LMNA 4560/4885
US-20150157616-A1 Novel Dihydropyridin-2(1H)-One Compounds as S-Nitrosoglutathione Reductase Inhibitors and Neurokinin-3 Receptor Antagonists QDPR, TACR1, TACR2 PLOD2 3911/4885KMT2A 2740/4885LMNA 4628/4885
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 PLOD2 2431/4885KMT2A 3962/4885LMNA 4560/4885

“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.