SCHEMBL6070205

SCHEMBL6070205

O=C(CBr)NCc1ccco1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
HPGD P15428 7/20 0.64
POLB P06746 6/20 0.64
KDM4E B2RXH2 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
HSD17B10 Q99714 2/20 0.64
MAPT P10636 1/20 0.64
PTPN7 P35236 1/20 0.64
EPHX2 P34913 3/20 0.58
TSHR P16473 1/20 0.57
USP2 O75604 1/20 0.57
TDP1 Q9NUW8 2/20 0.57
HTT P42858 1/20 0.56
RECQL P46063 1/20 0.56
ESR2 Q92731 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL29410065 0.87 ALDH1A1 (0.74) ALDH1A1HPGDPOLBKDM4EL3MBTL1
SCHEMBL9912447 0.84 ALDH1A1 (0.70) ALDH1A1HPGDPOLBKDM4EL3MBTL1
SCHEMBL6289033 0.84 ALDH1A1 (0.70) ALDH1A1HPGDPOLBKDM4EL3MBTL1
SCHEMBL2638805 0.82 ALDH1A1 (0.68) ALDH1A1HPGDPOLBKDM4EL3MBTL1
SCHEMBL20189300 0.82 ALDH1A1 (0.68) ALDH1A1HPGDPOLBKDM4EL3MBTL1
SCHEMBL14511323 0.82 ALDH1A1 (0.68) ALDH1A1HPGDPOLBKDM4EL3MBTL1
SCHEMBL2638802 0.82 ALDH1A1 (0.68) ALDH1A1HPGDPOLBKDM4EL3MBTL1
SCHEMBL6029533 0.82 ALDH1A1 (0.68) ALDH1A1HPGDPOLBKDM4EL3MBTL1
SCHEMBL19726938 0.82 HPGD (0.73) ALDH1A1HPGDPOLBKDM4EL3MBTL1
SCHEMBL6360360 0.82 ALDH1A1 (0.68) ALDH1A1HPGDPOLBKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-09-18 US disclosed
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-09-18 US disclosed
CN-103130594-A Method preparing N-aryl and N-alkyl aromatic amine type compound from phenol type compound UNIV ZHEJIANG 2013-06-05 CN disclosed
US-6991902-B2 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. (US) 2006-01-31 US disclosed
US-6893815-B1 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. (US) 2005-05-17 US disclosed
US-20030003505-A1 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. 2003-01-02 US disclosed
US-20020009748-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION ISIS PHARMACEUTICALS, INC. 2002-01-24 US disclosed
WO-1999000669-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION ISIS PHARMACEUTICALS, INC. (US) 1999-01-07 WO disclosed
WO-1998006671-A1 METHODS FOR REMOVING UNREACTED ELECTROPHILES FROM A REACTION MIXTURE ISIS PHARMACEUTICALS, INC. (US) 1998-02-19 WO disclosed
US-5632898-A SCAVINGING WITH A WATER-SOLUBLE NUCLEOPHILE COMPRISING AMINO-, HYDROXY- OR MERCAPTO-CONTAINING SULFONATES, CARBOXYLATES OR PHOSPHONATES FOLLOWED BY SEPARATION ISIS PHARMACEUTICALS, INC. (US) 1997-05-27 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 (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-20020009748-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION PNP, ATIC, DPYD ALDH1A1 1826/4885HPGD 740/4885POLB 330/4885
US-20030003505-A1 Nucleobase heterocyclic combinatorialization PNP, ATIC, DPYD ALDH1A1 1826/4885HPGD 740/4885POLB 330/4885
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION CDA, DCTD, ADA ALDH1A1 2191/4885HPGD 1501/4885POLB 108/4885

“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.