SCHEMBL4921368

SCHEMBL4921368

O=[N+]([O-])c1ccc(N2CCCC2)c(F)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.75
KMT2A Q03164 2/20 0.75
LMNA P02545 3/20 0.68
GAA P10253 1/20 0.67
MAPT P10636 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
THRB P10828 1/20 0.60
HTT P42858 2/20 0.58
MITF O75030 1/20 0.58
HSP90AA1 P07900 1/20 0.58
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HPGD P15428 1/20 0.57
MEN1 O00255 1/20 0.57
SLC6A9 P48067 1/20 0.57
SLC6A5 Q9Y345 1/20 0.57
POLB P06746 2/20 0.56

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
SCHEMBL1127011 0.98 ALDH1A1 (0.73) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL85672 0.98 ALDH1A1 (0.73) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL30928952 0.98 ALDH1A1 (0.73) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL5697459 0.94 ALDH1A1 (0.68) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL14464189 0.93 ALDH1A1 (0.79) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL6687570 0.91 MAPT (0.69) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL18396735 0.90 ALDH1A1 (0.66) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL5058298 0.87 ALDH1A1 (0.71) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL861991 0.87 ALDH1A1 (0.64) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL4248193 0.87 ALDH1A1 (0.63) ALDH1A1KMT2ALMNAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875001-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO LTD (CN) 2019-01-09 EP disclosed
US-9434695-B2 Nitrogenous heterocyclic derivatives and their application in drugs SUNSHINE LAKE PHARMA CO., LTD (CN) 2016-09-06 US disclosed
EP-2875001-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS Sunshine Lake Pharma Co., Ltd. (CN) 2015-05-27 EP disclosed
US-20150087639-A1 Nitrogenous Heterocyclic Derivatives And Their Application In Drugs SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-03-26 US disclosed
WO-2014012360-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-01-23 WO disclosed
US-20120214808-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LIMITED (GB) 2012-08-23 US disclosed
US-20120214808-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LIMITED (GB) 2012-08-23 US disclosed
US-20120214808-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LIMITED (GB) 2012-08-23 US disclosed
US-20080261952-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LTD. (GB) 2008-10-23 US disclosed
US-20080261952-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LTD. (GB) 2008-10-23 US disclosed
US-20080261952-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LTD. (GB) 2008-10-23 US disclosed
EP-1786422-A2 ARYL UREA DERIVATIVES FOR TREATING OBESITY Prosidion Limited (GB) 2007-05-23 EP disclosed
WO-2006018662-A2 ARYL UREA DERIVATIVES FOR TREATING OBESITY PROSIDION LIMITED (GB) 2006-02-23 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 (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-20150087639-A1 Nitrogenous Heterocyclic Derivatives And Their Application In Drugs TNNC1, TNNI3, IAPP ALDH1A1 1530/4885KMT2A 2967/4885LMNA 354/4885
US-20080261952-A1 Aryl Urea Derivatives for Treating Obesity CNR1, GPR119, UTS2R ALDH1A1 274/4885KMT2A 1905/4885LMNA 4374/4885
US-20120214808-A1 Aryl Urea Derivatives for Treating Obesity CNR1, GPR119, UTS2R ALDH1A1 274/4885KMT2A 1905/4885LMNA 4374/4885

“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.