Sugi Predict

Sugi Predict / Compounds / SCHEMBL2389489

SCHEMBL2389489

SCHEMBL2389489

COc1ccc(/N=C/c2ccc(Cl)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100B P04271 1/20 0.70
▸ PTGS2 P35354 2/20 0.60
▸ CA12 O43570 2/20 0.60
▸ CA2 P00918 2/20 0.60
▸ CA9 Q16790 2/20 0.60
▸ PTGS1 P23219 1/20 0.60
▸ CA1 P00915 1/20 0.53
▸ MAPT P10636 4/20 0.49
▸ GAA P10253 4/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ ACHE P22303 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ AHR P35869 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46

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
SCHEMBL3831434 1.00 S100B (0.70) S100BPTGS2CA12CA2CA9
SCHEMBL11753458 1.00 S100B (0.70) S100BPTGS2CA12CA2CA9
SCHEMBL12416592 1.00 S100B (0.70) S100BPTGS2CA12CA2CA9
SCHEMBL12416630 0.91 S100B (0.82) S100BPTGS2CA12CA2CA9
SCHEMBL10412841 0.91 S100B (0.82) S100BPTGS2CA12CA2CA9
SCHEMBL2010515 0.91 S100B (0.82) S100BPTGS2CA12CA2CA9
SCHEMBL10733285 0.91 S100B (0.82) S100BPTGS2CA12CA2CA9
SCHEMBL10733277 0.91 S100B (0.82) S100BPTGS2CA12CA2CA9
SCHEMBL12416663 0.85 S100B (0.74) S100BPTGS2CA12CA2CA9
SCHEMBL20186937 0.84 CA2 (0.67) S100BPTGS2CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 — — EP disclosed
CN-113861065-A Method for preparing asymmetric imine or asymmetric secondary amine compound through photocatalysis 苏州大学张家港工业技术研究院 2021-12-31 — — CN disclosed
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines Universite Paris-Saclay (FR) 2021-06-15 — — US disclosed
US-20200255369-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES Universite Paris-Saclay (FR) 2020-08-13 — — US disclosed
WO-2019063952-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIVERSITE PARIS-SUD (FR) 2019-04-04 — — WO disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 — — US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 — — US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 — — US disclosed
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 — — EP disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 — — US disclosed
EP-2516009-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES Novartis AG (CH) 2012-10-31 — — EP disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 — — US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 — — US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 — — US disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 — — US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 — — EP disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 — — US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 — — US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 — — US disclosed
WO-2007084319-A2 DIARYL PIPERIDINES AS CB1 MODULATORS SCHERING CORPORATION (US) 2007-07-26 — — 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 (6 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-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 S100B 1373/4885PTGS2 2236/4885CA12 4446/4885
US-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 S100B 2558/4885PTGS2 1804/4885CA12 4223/4885
US-20200255369-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES ADH1C, ADH1A, ADH5 S100B 3594/4885PTGS2 3275/4885CA12 4093/4885
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 S100B 3752/4885PTGS2 4159/4885CA12 4647/4885
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines ADH1C, PNMT, ADH1A S100B 3361/4885PTGS2 3092/4885CA12 4098/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 S100B 3752/4885PTGS2 4159/4885CA12 4647/4885

“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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