SCHEMBL3758627

SCHEMBL3758627

O=C(c1ccccc1B(O)O)N1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
GAA P10253 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.58
TP53 P04637 1/20 0.58
TSHR P16473 2/20 0.55
PKM P14618 1/20 0.55
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 1/20 0.53
HTT P42858 2/20 0.52
HPGD P15428 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
SCHEMBL29956307 1.00 ALDH1A1 (0.63) ALDH1A1GAASMN1; SMN2NPSR1TP53
SCHEMBL29954605 0.88 HTT (0.58) ALDH1A1SMN1; SMN2TP53TSHRKMT2A
SCHEMBL7121916 0.86 SMN1; SMN2 (0.77) ALDH1A1GAASMN1; SMN2NPSR1TP53
SCHEMBL29956909 0.84 HTT (0.64) ALDH1A1SMN1; SMN2TSHRKMT2AHTT
SCHEMBL4443752 0.84 TSHR (0.62) ALDH1A1SMN1; SMN2TSHRKMT2AHTT
SCHEMBL10013747 0.81 HTT (0.72) ALDH1A1GAASMN1; SMN2NPSR1PKM
SCHEMBL6411599 0.81 L3MBTL1 (0.69) ALDH1A1TP53TSHRKMT2AKDM4E
SCHEMBL22692602 0.80 PKM (0.61) ALDH1A1GAASMN1; SMN2NPSR1TP53
SCHEMBL554704 0.79 MGLL (0.67) ALDH1A1GAASMN1; SMN2NPSR1TP53
SCHEMBL20267430 0.79 GAA (0.73) ALDH1A1GAASMN1; SMN2NPSR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237045-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-18 US disclosed
EP-3049410-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES AS MODULATORS OF FACTOR XIA Bayer Pharma Aktiengesellschaft (DE) 2016-08-03 EP disclosed
WO-2015044173-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES AS MODULATORS OF FACTOR XIA BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 WO disclosed
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
EP-1805142-A4 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS INC (US) 2009-06-10 EP disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
EP-2001880-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2008-12-17 EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO disclosed
WO-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 WO disclosed
EP-1805142-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-07-11 EP disclosed
US-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US disclosed
WO-2006034474-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO disclosed
WO-2005087765-A1 LIGANDS OF FOLLICLE STIMULATING HORMONE RECEPTOR AND METHODS OF USE THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-09-22 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 (3 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-20160237045-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT ALDH1A1 1093/4885GAA 643/4885SMN1; SMN2 2455/4885
US-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them LDLR, LRP6, PLPBP ALDH1A1 3749/4885GAA 2018/4885SMN1; SMN2 4531/4885
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA ALDH1A1 3061/4885GAA 1593/4885SMN1; SMN2 1864/4885

“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.