SCHEMBL5754387

SCHEMBL5754387

O=C(c1ccc(Br)cc1)c1ccccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.65
KMT2A Q03164 2/20 0.62
MAPT P10636 3/20 0.60
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
THRB P10828 1/20 0.51
ALDH1A1 P00352 2/20 0.50
NR4A1 P22736 1/20 0.50
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 3/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL29875241 1.00 AKR1C3 (0.65) AKR1C3KMT2AMAPTCES2CES1
SCHEMBL3444937 0.90 KMT2A (0.72) AKR1C3KMT2AMAPTCES2CES1
SCHEMBL29989484 0.84 NR4A1 (0.69) KMT2AMAPTCES2CES1ALDH1A1
SCHEMBL2991958 0.84 NR4A1 (0.69) KMT2AMAPTCES2CES1ALDH1A1
SCHEMBL29434816 0.84 KMT2A (0.65) AKR1C3KMT2AMAPTCES2CES1
SCHEMBL49873 0.84 KMT2A (0.65) AKR1C3KMT2AMAPTCES2CES1
SCHEMBL3843558 0.84 AKR1C3 (0.81) AKR1C3KMT2AMAPTCES2CES1
SCHEMBL3956232 0.84 AKR1C3 (0.81) AKR1C3KMT2AMAPTCES2CES1
SCHEMBL3825387 0.83 MAPT (0.56) AKR1C3KMT2AMAPTCES2CES1
SCHEMBL9409782 0.82 NR4A1 (0.67) KMT2AMAPTCES2CES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351136-A2 Poly(arylene thioether) copolymers and process for production thereof Tosoh Corporation (JP) 1990-01-17 EP claimed
US-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-11-16 US disclosed
US-20230257383-A1 COMPOUND SERVING AS BTK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-08-17 US disclosed
US-20230257383-A1 COMPOUND SERVING AS BTK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-08-17 US disclosed
EP-4186906-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Chengdu Hyperway Pharmaceuticals Co., Ltd. (CN) 2023-05-31 EP disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
US-9023954-B1 Side-chain and end-group modified poly-p-phenylene oligomers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-05-05 US disclosed
US-9023954-B1 Side-chain and end-group modified poly-p-phenylene oligomers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-05-05 US disclosed
EP-1379234-B1 HALOGENATED AMINOBENZOPHENONES AND AMINOBENZOYLPYRIDINES AS INHIBITORS OF IL-1 AND TNF NOVARTIS AG (CH) 2006-03-29 EP disclosed
US-6919336-B2 Hallogenated aminobenzophenones and aminobenzoylpyridines as inhibitors of IL-1 and TNF NOVARTIS AG (CH) 2005-07-19 US disclosed
US-20040097731-A1 Hallogenated aminobenzophenones and aminobenzoylpyridines as inhibitors of il-1and tnf NOVARTIS AG (CH) 2004-05-20 US disclosed
EP-1379234-A1 HALOGENATED AMINOBENZOPHENONES AND AMINOBENZOYLPYRIDINES AS INHIBITORS OF IL-1 AND TNF Novartis AG (CH) 2004-01-14 EP disclosed
WO-2002076447-A1 HALLOGENATED AMINOBENZOPHENONES AND AMINOBENZOYLPYRIDINES AS INHIBITORS OF IL-1 AND TNF NOVARTIS AG (CH) 2002-10-03 WO disclosed
EP-0351136-A2 Poly(arylene thioether) copolymers and process for production thereof Tosoh Corporation (JP) 1990-01-17 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 (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-20040097731-A1 Hallogenated aminobenzophenones and aminobenzoylpyridines as inhibitors of il-1and tnf TNF, NFKBIA, IL1A AKR1C3 1211/4885KMT2A 1573/4885MAPT 2379/4885
US-20230257383-A1 COMPOUND SERVING AS BTK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF BTK, WEE1, WEE2 AKR1C3 1011/4885KMT2A 1668/4885MAPT 1964/4885
US-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF BTK, WEE2, WEE1 AKR1C3 3564/4885KMT2A 1617/4885MAPT 366/4885

“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.