SCHEMBL454536

SCHEMBL454536

O=C(Nc1ccc2c(c1)C1CCC2C1)c1cn[nH]c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.47
▸ CHRNA4 P43681 2/20 0.47
▸ MELK Q14680 1/20 0.46
▸ KDM1A O60341 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ ACKR3 P25106 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ROCK1 Q13464 1/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ NAMPT P43490 2/20 0.40
▸ NTRK1 P04629 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CHRNA1 P02708 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
SCHEMBL568143 0.82 MELK (0.46) MELKKDM1AMAOAACKR3CYP3A4
SCHEMBL21043709 0.73 HSD11B1 (0.39) KDM1AMAOACYP3A4CHRNB4CHRNA3
SCHEMBL259311 0.71 MEN1 (0.65) CYP3A4CYP2C9NTRK1
SCHEMBL18789836 0.71 CYP3A4 (0.63) MELKCYP3A4CYP19A1CYP2C9NAMPT
SCHEMBL28304288 0.70 RAB9A (0.62) ROCK1PIM1PIM3PIM2NAMPT
SCHEMBL18843417 0.70 NPC1 (0.57) ROCK1
SCHEMBL601922 0.70 ROCK1 (0.59) ROCK1PIM1PIM3PIM2NAMPT
SCHEMBL21695760 0.68 FADS1 (0.53) ROCK1PIM1PIM3PIM2NTRK1
SCHEMBL21348467 0.68 CHRNB4 (0.53) ACKR3NAMPTHDAC3HDAC11HDAC8
SCHEMBL4888537 0.68 KDM4E (0.65) ROCK1PIM1PIM3PIM2ROCK2

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
US-9169233-B2 Methods for the preparation of aryl amides SYNGENTA LIMITED (GB) 2015-10-27 — — US disclosed
EP-2373625-B1 METHODS FOR THE PREPARATION OF ARYL AMIDES SYNGENTA LTD (GB) 2014-10-08 — — EP disclosed
US-20140107348-A1 METHODS FOR THE PREPARATION OF ARYL AMIDES SYNGENTA LIMITED (GB) 2014-04-17 — — US disclosed
US-8680337-B2 Process for the production of amides Sungenta Limited (GB) 2014-03-25 — — US disclosed
US-8637678-B2 Methods for the preparation of aryl amides SYNGENTA LIMITED (GB) 2014-01-28 — — US disclosed
US-20130253225-A1 PROCESS FOR THE PRODUCTION OF AMIDES SYNGENTA LIMITED (GB) 2013-09-26 — — US disclosed
US-8436037-B2 Process for the production of amides SYNGENTA LIMITED (GB) 2013-05-07 — — US disclosed
EP-1928838-B1 PROCESS FOR THE PRODUCTION OF AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-10-24 — — EP disclosed
US-20120065239-A1 PROCESS FOR THE PRODUCTION OF AMIDES SYNGENTA LIMITED (GB) 2012-03-15 — — US disclosed
US-20110263869-A1 METHODS FOR THE PREPARATION OF ARYL AMIDES SYNGENTA CROP PROTECTION, LLC (US) 2011-10-27 — — US disclosed
EP-2373625-A1 METHODS FOR THE PREPARATION OF ARYL AMIDES Syngenta Limited (GB) 2011-10-12 — — EP disclosed
EP-2370412-A1 METHODS FOR THE PREPARATION OF FUNGICIDES Syngenta Limited (GB) 2011-10-05 — — EP disclosed
US-7994341-B2 Process for the production of amides SYNGENTA LIMITED (GB) 2011-08-09 — — US disclosed
EP-2253623-A1 New crystal form of a pyrazole fungicide Syngenta Participations AG. (CH) 2010-11-24 — — EP disclosed
EP-2253622-A1 Process for the production of amides Syngenta Participations AG. (CH) 2010-11-24 — — EP disclosed
WO-2010072631-A1 METHODS FOR THE PREPARATION OF FUNGICIDES SYNGENTA LIMITED (GB) 2010-07-01 — — WO disclosed
WO-2010072632-A1 METHODS FOR THE PREPARATION OF ARYL AMIDES SYNGENTA LIMITED (GB) 2010-07-01 — — WO disclosed
US-20090163569-A1 PROCESS FOR THE PRODUCTION OF AMIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-06-25 — — US disclosed
EP-1928838-A1 PROCESS FOR THE PRODUCTION OF AMIDES Syngeta Participations AG (CH) 2008-06-11 — — EP disclosed
WO-2007031323-A1 PROCESS FOR THE PRODUCTION OF AMIDES SYNGENTA PARTICIPATIONS AG. (CH) 2007-03-22 — — 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 (5 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-20140107348-A1 METHODS FOR THE PREPARATION OF ARYL AMIDES SOD1, CBR3, AOC3 CHRNB2 4543/4885CHRNA4 4154/4885MELK 3884/4885
US-20110263869-A1 METHODS FOR THE PREPARATION OF ARYL AMIDES SOD1, AOC3, CBR3 CHRNB2 4382/4885CHRNA4 3857/4885MELK 3870/4885
US-20120065239-A1 PROCESS FOR THE PRODUCTION OF AMIDES CFH, C5, CFB CHRNB2 3072/4885CHRNA4 3201/4885MELK 4558/4885
US-20130253225-A1 PROCESS FOR THE PRODUCTION OF AMIDES CFH, C5, CFB CHRNB2 3175/4885CHRNA4 3287/4885MELK 4586/4885
US-20090163569-A1 PROCESS FOR THE PRODUCTION OF AMIDES C5, CFH, C9 CHRNB2 2716/4885CHRNA4 3024/4885MELK 4626/4885

“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.

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