SCHEMBL99667

SCHEMBL99667

Nc1cc(Br)cc(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
ALDH1A1 P00352 7/20 0.48
HSD17B10 Q99714 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 1/20 0.48
CYP3A4 P08684 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
MAPT P10636 4/20 0.38
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 2/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL29092148 0.86 MAOA (0.45) MAOAALDH1A1HSD17B10TDP1MAPK1
SCHEMBL2810853 0.85 MAPT (0.43) MAOAALDH1A1TDP1MAPK1CYP3A4
SCHEMBL3995431 0.83 MAOA (0.67) MAOAALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL1562747 0.83 ALDH1A1 (0.60) MAOAALDH1A1HSD17B10TDP1MAPK1
SCHEMBL15837471 0.83 MAOA (0.67) MAOAALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL45718 0.83 ALDH1A1 (0.60) MAOAALDH1A1HSD17B10TDP1MAPK1
SCHEMBL4267156 0.83 MAOA (0.67) MAOAALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL12996631 0.80 ALDH1A1 (0.57) MAOAALDH1A1HSD17B10TDP1MAPK1
SCHEMBL18678323 0.80 HSD17B10 (0.65) MAOAALDH1A1HSD17B10TDP1MAPK1
SCHEMBL15358382 0.80 ALDH1A1 (0.65) ALDH1A1HSD17B10TDP1MAPK1CYP3A4

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
US-20240023425-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-01-18 US disclosed
US-20240023425-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-01-18 US disclosed
US-9072734-B2 Quaternary ammonium salt compounds TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
CN-102459231-A Quaternary ammonium salt compound TEIJIN PHARMA LTD 2012-05-16 CN disclosed
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP disclosed
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 US disclosed
US-5350846-A Antibiotics MERCK & CO., INC. (US) 1994-09-27 US disclosed
US-5208329-A Antibacterial agents MERCK & CO., INC. (US) 1993-05-04 US disclosed
US-5182385-A Chemical intermediates for bactericides MERCK & CO., INC. (US) 1993-01-26 US disclosed
EP-0467434-A1 2-Biphenyl-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-01-22 EP disclosed
EP-0464900-A2 2-Biphenyl-carbapenems MERCK & CO. INC. (US) 1992-01-08 EP disclosed
US-5025006-A Carbapenicillin antibiotics MERCK & CO., INC. (US) 1991-06-18 US disclosed
US-5011832-A 2-biphenyl-carbapenem antibacterial agents MERCK & CO., INC. (US) 1991-04-30 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 (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-20240023425-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE CRY1, LAGE3, NFE2L2 MAOA 3147/4885ALDH1A1 38/4885HSD17B10 2299/4885
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 MAOA 2272/4885ALDH1A1 1896/4885HSD17B10 1245/4885

“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.