SCHEMBL9828649

SCHEMBL9828649

O=C(c1ccccc1)c1cccc(Br)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
CNR2 P34972 2/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GRM5 P41594 1/20 0.44
MEN1 O00255 2/20 0.44
ALOX15 P16050 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SRD5A2 P31213 1/20 0.42

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
SCHEMBL960010 0.86 ALDH1A1 (0.51) KMT2ACNR2ALDH1A1HPGDTDP1
SCHEMBL5604467 0.86 KMT2A (0.63) KMT2ACNR2ALDH1A1HPGDTDP1
SCHEMBL23564314 0.84 PARP1 (0.50) KMT2AALDH1A1HPGDTDP1L3MBTL1
SCHEMBL4083653 0.84 ALDH1A1 (0.50) ALDH1A1HPGDGRM5HTTNPC1
SCHEMBL1873600 0.84 HSD17B14 (0.49) KMT2AALDH1A1HPGDGRM5MEN1
SCHEMBL10796499 0.84 CNR2 (0.55) CNR2ALDH1A1HPGDGRM5ALOX15
SCHEMBL13932169 0.84 KDM4E (0.50) KMT2AALDH1A1HPGDTDP1GRM5
SCHEMBL10628735 0.83 AKR1C3 (0.55) KMT2ACNR2ALDH1A1HPGDMEN1
Hydrochloric Acid SCHEMBL7145613 0.82 KMT2A (0.64) KMT2ACNR2ALDH1A1HPGDTDP1
SCHEMBL7531240 0.81 ALDH1A1 (0.49) KMT2AALDH1A1HPGDMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021036978-A1 TETRADENTATE LIGANDS, GOLD(III) COMPLEXES, PREPARATION METHOD AND USE THEREOF CHE CHI MING (CN) 2021-03-04 WO disclosed
EP-1582524-B1 Method of preparing organomagnesium compounds UNIV MUENCHEN L MAXIMILIANS (DE) 2008-08-13 EP disclosed
US-7387751-B2 Method of preparing organomagnesium compounds LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2008-06-17 US disclosed
US-7387751-B2 Method of preparing organomagnesium compounds LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2008-06-17 US disclosed
US-7384580-B2 Method of preparing organomagnesium compounds LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2008-06-10 US disclosed
US-7384580-B2 Method of preparing organomagnesium compounds LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2008-06-10 US disclosed
US-20070194468-A1 Method of preparing organomagnesium compounds LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2007-08-23 US disclosed
US-20070194468-A1 Method of preparing organomagnesium compounds LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2007-08-23 US disclosed
EP-0249950-B1 AROMATIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-06-19 EP disclosed
EP-0085959-B1 AROMATIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1989-04-19 EP disclosed
US-4736037-A 2-halo-aryl-pyridinemethanols with analgesic or antiinflammatory activity LACER, S.A. (ES) 1988-04-05 US disclosed
EP-0249950-A1 Aromatic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1987-12-23 EP disclosed
US-4614833-A 2-halo-pyridines LACER, S.A. (ES) 1986-09-30 US disclosed
EP-0032516-B1 NEW 2-HALO-PYRIDINES, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS LACER, S.A. (ES) 1984-05-02 EP disclosed
EP-0085959-A2 Aromatic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1983-08-17 EP disclosed
EP-0032516-A1 New 2-halo-pyridines, their production and pharmaceutical compositions LACER, S.A. (ES) 1981-07-29 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 (1 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-20070194468-A1 Method of preparing organomagnesium compounds SCLY, LIG3, LIG4 KMT2A 1000/4885CNR2 4254/4885ALDH1A1 1914/4885

“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.