SCHEMBL2636628

SCHEMBL2636628

O=C(O)C1CCCN(C(=O)c2ccco2)C1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
RAB9A P51151 2/20 0.64
MAPT P10636 1/20 0.63
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
PKM P14618 1/20 0.57
HSD11B1 P28845 1/20 0.56
KDM4E B2RXH2 1/20 0.56
GRM5 P41594 1/20 0.54
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPC1 O15118 1/20 0.52
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL1839628 0.82 SMN1; SMN2 (0.76) ALDH1A1RAB9ALMNAMAPK1SMN1; SMN2
SCHEMBL10272426 0.82 ALDH1A1 (0.74) ALDH1A1RAB9AMAPTLMNAMAPK1
SCHEMBL5474392 0.81 ALDH1A1 (0.73) ALDH1A1RAB9AMAPTLMNAMAPK1
SCHEMBL5474385 0.81 ALDH1A1 (0.73) ALDH1A1RAB9AMAPTLMNAMAPK1
SCHEMBL4748498 0.80 ALDH1A1 (0.87) ALDH1A1RAB9AMAPTLMNAMAPK1
SCHEMBL61103 0.80 ALDH1A1 (0.87) ALDH1A1RAB9AMAPTLMNAMAPK1
SCHEMBL10224280 0.78 ALDH1A1 (0.63) ALDH1A1RAB9AMAPTLMNAMAPK1
SCHEMBL1520334 0.78 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7232912 0.78 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL16442058 0.78 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598392-B2 2-amido-4-phenylthiazole derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2009-10-06 US claimed
US-20070259847-A1 2-Amido-4-phenylthiazole Derivatives, The Preparation And The Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2007-11-08 US claimed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-7598392-B2 2-amido-4-phenylthiazole derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2009-10-06 US disclosed
US-20070259847-A1 2-Amido-4-phenylthiazole Derivatives, The Preparation And The Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2007-11-08 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US 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 (4 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-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT ALDH1A1 1077/4885RAB9A 4328/4885MAPT 2968/4885
US-20070259847-A1 2-Amido-4-phenylthiazole Derivatives, The Preparation And The Therapeutic Use Thereof PKD2, TPMT, PKD1 ALDH1A1 950/4885RAB9A 2512/4885MAPT 30/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 ALDH1A1 374/4885RAB9A 4386/4885MAPT 4800/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT ALDH1A1 1238/4885RAB9A 4202/4885MAPT 3083/4885

“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.