SCHEMBL2224497

SCHEMBL2224497

O=C(O)c1c(-c2ccccc2)ccnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
FOLH1 Q04609 1/20 0.45
DHODH Q02127 7/20 0.45
LDHA P00338 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 2/20 0.39
KDM4A O75164 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
ATM Q13315 1/20 0.39
KMO O15229 1/20 0.39
PTGES O14684 1/20 0.38
TACR1 P25103 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6772451 0.89 LMNA (0.42) SMN1; SMN2LMNAFOLH1DHODHPTGES
SCHEMBL4518271 0.88 KMO (0.49) SMN1; SMN2LMNADHODHCYP3A4CYP2C8
SCHEMBL28143127 0.86 CDC7 (0.46) SMN1; SMN2LMNADHODHCYP3A4PTGES
SCHEMBL4520576 0.85 DHODH (0.48) SMN1; SMN2LMNADHODHLDHAKDM4A
SCHEMBL4514183 0.85 DHODH (0.46) SMN1; SMN2LMNADHODHKDM4EKDM5A
SCHEMBL4523605 0.83 KMO (0.51) DHODHKDM5AKDM4CKDM5BKMO
SCHEMBL25120650 0.81 DHODH (0.42) SMN1; SMN2LMNADHODHKDM4EKDM5A
SCHEMBL5526122 0.81 KDM5A (0.48) SMN1; SMN2LMNADHODHLDHAKDM5A
SCHEMBL30949178 0.81 DHODH (0.42) SMN1; SMN2LMNADHODHKDM4EKDM5A
SCHEMBL30377825 0.81 KDM5A (0.48) SMN1; SMN2LMNADHODHLDHAKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP disclosed
CN-101589025-B Aminonicotinic acid and isonicotinic acid derivatives as dihydrolactate dehydrogenase (DHODH) inhibitors ALMIRALL LAB 2012-05-30 CN disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO disclosed
US-7625887-B2 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed
CN-101589025-A Aminonicotinic acid and isonicotinic acid derivatives as dihydrolactate dehydrogenase (DHODH) inhibitors ALMIRALL LAB (ES) 2009-11-25 CN disclosed
CN-100506801-C Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2009-07-01 CN disclosed
US-20060199795-A1 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-07 US disclosed
EP-1591120-A1 RECEPTOR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2005-11-02 EP disclosed
CN-1592743-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2005-03-09 CN disclosed
EP-1061926-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-12-27 EP disclosed
US-6147071-A TACHYKININ RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-11-14 US disclosed
WO-1999047132-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-23 WO disclosed
US-5786352-A CARDIOVASCULAR DISORDERS, TACHYKININ RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-07-28 US disclosed
US-5770590-A EXCELLENT TACHYKININ RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-23 US disclosed
CN-1140172-A Cyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-01-15 CN disclosed
EP-0733632-A1 Cyclic compounds, their production and use as tachykinin receptor antagonists Takeda Chemical Industries, Ltd. (JP) 1996-09-25 EP disclosed
US-4623648-A 1-azaxanthone for use as therapeutic agent as an antipyretic, analgesic, anti-inflammatory and bronchodilator LACER, S.A. (ES) 1986-11-18 US disclosed
EP-0075607-B1 1-AZAXANTHONE FOR USE AS THERAPEUTIC AGENT, PROCESSES FOR ITS PRODUCTION AND PHARMACEUTICAL COMPOSITIONS LACER, S.A. (ES) 1985-03-13 EP disclosed
EP-0075607-A1 1-Azaxanthone for use as therapeutic agent, processes for its production and pharmaceutical compositions LACER, S.A. (ES) 1983-04-06 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-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B SMN1; SMN2 1087/4885LMNA 611/4885FOLH1 4656/4885
US-20060199795-A1 Receptor agonists GPBAR1, GPR35, GPR55 SMN1; SMN2 3951/4885LMNA 3887/4885FOLH1 1153/4885

“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.