SCHEMBL627005

SCHEMBL627005

C=Cc1ccc2ccc(Cl)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.46
NR4A2 P43354 1/20 0.46
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYSLTR2 Q9NS75 5/20 0.38
CYSLTR1 Q9Y271 5/20 0.38
HRH3 Q9Y5N1 1/20 0.37
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
DYRK1A Q13627 1/20 0.36
PIK3CG P48736 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36

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
SCHEMBL11517006 0.86 S1PR4 (0.45) S1PR4NR4A2HTR3AKDM4EMEN1
SCHEMBL3748357 0.80 CCR1 (0.48) S1PR4NR4A2HTR3EHTR3BHTR3A
SCHEMBL7939210 0.80 NR4A2 (0.46) NR4A2HTR3EHTR3BHTR3AHTR3D
SCHEMBL27787626 0.80 S1PR4 (0.40) S1PR4MEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL27163083 0.77 PIK3CG (0.42) S1PR4NR4A2HTR3EHTR3BHTR3A
SCHEMBL14251381 0.76 BACE1 (0.52) S1PR4KDM4EMEN1KMT2ADYRK1A
SCHEMBL28815861 0.76 S1PR4 (0.40) S1PR4NR4A2KDM4EMEN1KMT2A
SCHEMBL4049786 0.74 S1PR4 (0.36) S1PR4KDM4EKMT2ALMNAMAPT
SCHEMBL13513030 0.73 CYSLTR1 (0.59) KDM4EMEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL6750524 0.73 KDM4E (0.67) KDM4EMEN1KMT2ACYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101591291-A The synthetic method of 2-ethenyl quinoline compound INST MATERIA MEDICA CAMS (CN) 2009-12-02 CN claimed
EP-2094664-A2 A NEW PROCESS FOR THE PREPARATION OF MONTELUKAST KRKA, tovarna zdravil, d.d., Novo mesto (SI) 2009-09-02 EP claimed
WO-2009053424-A9 CRYSTALLINE SALT OF MONTELUKAST INKE SA (ES) 2009-08-06 WO claimed
US-20090111849-A1 CRYSTALLINE SALT OF MONTELUKAST INKE, SA (ES) 2009-04-30 US claimed
WO-2009053424-A1 CRYSTALLINE SALT OF MONTELUKAST INKE, S.A. (ES) 2009-04-30 WO claimed
EP-2053043-A1 Crystalline salt of montelukast INKE, S.A. (ES) 2009-04-29 EP claimed
WO-2008098965-A1 PROCESS FOR OBTAINING MONTELUKAST INKE, S.A. (ES) 2008-08-21 WO claimed
EP-1958936-A1 Process for obtaining montelukast INKE, S.A. (ES) 2008-08-20 EP claimed
US-20080194825-A1 PROCESS FOR OBTAINING MONTELUKAST INKE, S.A. (ES) 2008-08-14 US claimed
WO-2008049922-A2 A NEW PROCESS FOR THE PREPARATION OF MONTELUKAST KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2008-05-02 WO claimed
CN-114907514-A Multifunctional fiber and preparation method and application thereof 北京洁尔爽高科技有限公司 2022-08-16 CN disclosed
CN-106928136-B A kind of method of graphene palladium cobalt sequential catalyst synthesis montestron sodium intermediate 济南大学 2019-05-10 CN disclosed
CN-106928136-A A kind of Graphene palladium cobalt sequential catalyst synthesizes the method for MK intermediate 济南大学 2017-07-07 CN disclosed
CN-106928137-A A kind of method of Graphene palladium copper catalysis synthesis MK chirality alcohol intermediate 济南大学 2017-07-07 CN disclosed
CN-104109122-B For synthesizing midbody compound of montelukast and preparation method thereof 浙江奥翔药业股份有限公司 2017-03-29 CN disclosed
EP-1408033-A1 DIBENZOCYCLOHEPTENE COMPOUND Ube Industries, Ltd. (JP) 2004-04-14 EP disclosed
US-6509476-B1 Leukotriene antagonists; antiallergens, antiinflammatory agents, and antiasthmatic agents THE UNIVERSITY OF EAST ANGLIA (GB) 2003-01-21 US disclosed
US-6160120-A Process for preparing n-benzyl indoles ELI LILLY AND COMPANY (US) 2000-12-12 US disclosed
US-5807866-A Process for preparing N-benzyl indoles THE UNIVERSITY OF EAST ANGLIA (GB) 1998-09-15 US disclosed
EP-0775694-A2 Process for preparing N-benzyl indoles University of East Anglia (GB) 1997-05-28 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-20090111849-A1 CRYSTALLINE SALT OF MONTELUKAST CMA1, CYSLTR1, SYMPK S1PR4 714/4885NR4A2 2871/4885HTR3E 3445/4885
US-20080194825-A1 PROCESS FOR OBTAINING MONTELUKAST CYSLTR1, CMA1, CYSLTR2 S1PR4 1246/4885NR4A2 2996/4885HTR3E 492/4885

“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.