SCHEMBL16229879

SCHEMBL16229879

Clc1ccc(Br)cc1N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.49
ESR2 Q92731 5/20 0.49
NPFFR1 Q9GZQ6 1/20 0.41
NPFFR2 Q9Y5X5 1/20 0.41
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.36
CTSL P07711 2/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
KMT2A Q03164 2/20 0.34
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3846753 0.79 NPC1 (0.38) ESR1ESR2POLBMAPTGAA
SCHEMBL6547698 0.77 ESR1 (0.75) ESR1ESR2NPFFR1NPFFR2MAPT
SCHEMBL16229878 0.77 ESR1 (0.46) ESR1ESR2NPFFR1NPFFR2GAA
SCHEMBL8356086 0.76 NPC1 (0.41) ESR1ESR2POLBMAPTGAA
SCHEMBL8358341 0.76 SIGMAR1 (0.50) ESR1ESR2POLBMAPTGAA
SCHEMBL21995977 0.76 ESR1 (0.45) ESR1ESR2NPFFR1NPFFR2MAPT
SCHEMBL11881551 0.74 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7927948 0.73 PTGDR2 (0.39) ESR1ESR2POLBMAPTGAA
SCHEMBL29226313 0.73 KDM1A (0.33) ESR1ESR2POLBMAPTGAA
SCHEMBL27191888 0.72 PLG (0.42) ESR1ESR2GAAKMT2ASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305937-A1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS AMRI ITALY S.R.L. (IT) 2017-10-26 US disclosed
US-20170305937-A1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS AMRI ITALY S.R.L. (IT) 2017-10-26 US disclosed
US-9738663-B2 Process for the preparation of aminoaryl- and aminoheteroaryl boronic acids and esters EUTICALS S.P.A. (IT) 2017-08-22 US disclosed
US-9738663-B2 Process for the preparation of aminoaryl- and aminoheteroaryl boronic acids and esters EUTICALS S.P.A. (IT) 2017-08-22 US disclosed
EP-2994473-B1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS EUTICALS SPA (IT) 2016-12-21 EP disclosed
US-20160075723-A1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS AMRI ITALY S.R.L. (IT) 2016-03-17 US disclosed
EP-2801577-A1 Process for the preparation of aminoaryl- and aminoheteroaryl boronic acids and esters Euticals S.P.A. (IT) 2014-11-12 EP 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-20170305937-A1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS AADAT, BCAT2, BCAT1 ESR1 1272/4885ESR2 1338/4885NPFFR1 1403/4885
US-20160075723-A1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS AADAT, BCAT2, BCAT1 ESR1 1900/4885ESR2 2049/4885NPFFR1 1890/4885

“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.