Sugi Predict

Sugi Predict / Compounds / SCHEMBL2533147

SCHEMBL2533147

SCHEMBL2533147

Nc1ccc(N2CCN(C(=O)O)CC2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.60
▸ POLB P06746 1/20 0.60
▸ MAPT P10636 7/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ RAD52 P43351 1/20 0.59
▸ GAA P10253 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ HTT P42858 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.50
▸ AKR1C3 P42330 1/20 0.48
▸ GFER P55789 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ YWHAG P61981 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ GRM5 P41594 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL10823814 0.86 MAPT (0.62) ALDH1A1POLBMAPTKDM4ERAD52
SCHEMBL31491403 0.85 KDM4E (0.50) ALDH1A1POLBMAPTKDM4ERAD52
SCHEMBL17240307 0.85 KDM4E (0.50) ALDH1A1POLBMAPTKDM4ERAD52
SCHEMBL15358686 0.84 ALDH1A1 (0.81) ALDH1A1POLBMAPTKDM4ERAD52
SCHEMBL23777678 0.83 AKR1C3 (0.66) ALDH1A1AKR1C3MEN1KMT2AGRM5
SCHEMBL6599883 0.83 MAPT (0.61) ALDH1A1POLBMAPTKDM4ERAD52
SCHEMBL3922259 0.83 MAPT (0.63) ALDH1A1MAPTKDM4EGAASMN1; SMN2
SCHEMBL27610637 0.82 AKR1C3 (0.49) ALDH1A1MAPTGAASMN1; SMN2AKR1C3
SCHEMBL2533740 0.82 ALDH1A1 (0.64) ALDH1A1POLBMAPTKDM4ERAD52
SCHEMBL20339530 0.81 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EGAASMN1; SMN2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147408-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2021-05-20 — — US disclosed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 — — US disclosed
US-8957065-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD (KR) 2015-02-17 — — US disclosed
EP-2665724-A1 BICYCLIC INHIBITORS OF ALK AbbVie Inc. (US) 2013-11-27 — — EP disclosed
US-8524726-B2 Amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 — — US disclosed
US-20130137704-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma, SA (CH) 2013-05-30 — — US disclosed
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma, SA (CH) 2013-05-23 — — US disclosed
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD. (KR) 2013-05-09 — — US disclosed
EP-2585470-A2 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHD3ITION OF TYROSINE KINASE ACTIVITY Hanmi Science Co., Ltd. (KR) 2013-05-01 — — EP disclosed
WO-2012097682-A1 BICYCLIC INHIBITORS OF ALK ABBOTT LABORATORIES (US) 2012-07-26 — — WO disclosed
WO-2011162515-A2 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHD3ITION OF TYROSINE KINASE ACTIVITY HANMI HOLDINGS CO. , LTD. (KR) 2011-12-29 — — WO disclosed
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE 2011-10-20 — — US disclosed
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-03 — — US disclosed
EP-2181091-A2 AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2010-05-05 — — EP disclosed
WO-2009010454-A2 AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2009-01-22 — — 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 (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-20130137704-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 ALDH1A1 4659/4885POLB 4688/4885MAPT 1940/4885
US-20210147408-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP ALDH1A1 2893/4885POLB 4830/4885MAPT 3108/4885
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 ALDH1A1 4659/4885POLB 4688/4885MAPT 1940/4885
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM4, GRM1, GRM3 ALDH1A1 4659/4885POLB 4688/4885MAPT 1940/4885
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 ALDH1A1 4659/4885POLB 4688/4885MAPT 1940/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 ALDH1A1 3912/4885POLB 1584/4885MAPT 2825/4885

“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.