SCHEMBL1736418

SCHEMBL1736418

O=C(O)[C@@H](O)[C@H](O)C(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
MAPT P10636 7/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
TP53 P04637 1/20 0.52
EPHX1 P07099 1/20 0.52
TSHR P16473 1/20 0.52
EPHX2 P34913 1/20 0.52
CDK9 P50750 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
GAA P10253 4/20 0.52
ATM Q13315 3/20 0.52
LMNA P02545 2/20 0.52
HSP90AA1 P07900 2/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL1735243 1.00 POLB (0.57) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL14715852 1.00 POLB (0.57) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL18137202 0.84 KMT2A (0.54) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL701232 0.84 KMT2A (0.54) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL699996 0.82 MAPT (0.58) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL7827059 0.82 KMT2A (0.50) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL4086777 0.82 MAPT (0.58) POLBMAPTMEN1KMT2AALDH1A1
Diphenylamine SCHEMBL21145177 0.82 HSD17B10 (0.60) POLBMAPTMEN1KMT2AALDH1A1
Diphenylamine SCHEMBL21145179 0.82 HSD17B10 (0.60) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL11050303 0.81 POLB (0.59) POLBMAPTMEN1KMT2AALDH1A1

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
EP-1681290-B9 Imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL (JP) 2013-06-19 EP claimed
EP-1681290-B1 Imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL (JP) 2011-11-16 EP claimed
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2011-10-27 US claimed
US-7141598-B2 Imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL COMPANY, LTD. (JP) 2006-11-28 US claimed
EP-1681290-A2 Imidazole derivatives, production method thereof and use thereof Takeda Pharmaceutical Company Limited (JP) 2006-07-19 EP claimed
US-20040033935-A1 Novel imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US claimed
EP-1681290-B9 Imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL (JP) 2013-06-19 EP disclosed
EP-1681290-B1 Imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL (JP) 2011-11-16 EP disclosed
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2011-10-27 US disclosed
US-7141598-B2 Imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL COMPANY, LTD. (JP) 2006-11-28 US disclosed
EP-1681290-A2 Imidazole derivatives, production method thereof and use thereof Takeda Pharmaceutical Company Limited (JP) 2006-07-19 EP disclosed
EP-1334106-B1 IMIDAZOLE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-24 EP disclosed
US-20040033935-A1 Novel imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
EP-1334106-A2 NOVEL IMIDAZOLE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-08-13 EP disclosed
WO-2002040484-A2 NOVEL IMIDAZOLE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-23 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 (2 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-20040033935-A1 Novel imidazole derivatives, production method thereof and use thereof CYP17A1, CYP21A2, CYP19A1 POLB 3751/4885MAPT 3330/4885MEN1 2631/4885
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, NTRK1, PRKDC POLB 2538/4885MAPT 834/4885MEN1 1106/4885

“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.