SCHEMBL6541

SCHEMBL6541

O=C(O)C1(c2ccccc2Br)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.52
KMT2A Q03164 2/20 0.42
HDAC4 P56524 7/20 0.42
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2D6 P10635 1/20 0.39
HSD11B1 P28845 2/20 0.37
HDAC9 Q9UKV0 1/20 0.36
TET3 O43151 1/20 0.36
FBXL19 Q6PCT2 1/20 0.36
CXXC5 Q7LFL8 1/20 0.36
TET1 Q8NFU7 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
CXXC4 Q9H2H0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36

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
SCHEMBL30505085 1.00 AKR1C1 (0.52) AKR1C1KMT2AHDAC4THRBTDP1
SCHEMBL8107105 0.94 AKR1C1 (0.55) AKR1C1KMT2AHDAC4THRBTDP1
SCHEMBL30991214 0.82 HDAC4 (0.46) AKR1C1HDAC4CYP2D6HSD11B1
SCHEMBL21582415 0.80 CYP2D6 (0.50) CYP2D6
SCHEMBL29573088 0.80 CYP2D6 (0.50) CYP2D6
SCHEMBL15502375 0.79 HDAC4 (0.42) KMT2AHDAC4HSD11B1
SCHEMBL15108974 0.79 AKR1C1 (0.55) AKR1C1KMT2AHDAC4THRBTDP1
SCHEMBL696669 0.78 AKR1C1 (0.42) AKR1C1KMT2AHDAC4
SCHEMBL8104865 0.77 HDAC4 (0.44) AKR1C1KMT2AHDAC4THRBTDP1
SCHEMBL4284674 0.76 HDAC4 (0.59) AKR1C1KMT2AHDAC4THRBTDP1

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3577099-B1 A NOVEL PROCESS FOR THE SYNTHESIS OF 1-ARYL-1-TRIFLUOROMETHYLCYCLOPROPANES IDORSIA PHARMACEUTICALS LTD (CH) 2024-01-24 EP disclosed
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-21 US disclosed
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-21 US disclosed
CN-110234622-B Novel process for the synthesis of 1-aryl-1-trifluoromethyl cyclopropane 爱杜西亚药品有限公司 2023-07-04 CN disclosed
EP-3901159-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2021-10-27 EP disclosed
EP-3517112-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2021-04-07 EP disclosed
US-10780090-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
CN-110234622-A Novel process for the synthesis of 1-aryl-1-trifluoromethylcyclopropane 爱杜西亚药品有限公司 2019-09-13 CN disclosed
EP-3517112-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2019-07-31 EP disclosed
US-10335410-B2 Heteroaryl compounds useful as inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-07-02 US disclosed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
US-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-06-07 US disclosed
CN-102282124-A Biphenylacetamide derivative 2011-12-14 CN disclosed
EP-2374790-A1 BIPHENYLACETAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 US disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
CN-101012241-B Benzyl-position-substituted oxazoline phosphine ligand with chirality center, synthetic method and application SHANGHAI INST ORGANIC CHEM 2010-11-17 CN disclosed
CN-101012241-A Benzyl-position-substituted oxazoline phosphine ligand with chirality center, synthetic method and application SHANGHAI INST ORGANIC CHEM (CN) 2007-08-08 CN disclosed
US-4859232-A Substituted-aryl cyclopropanecarbonitriles and derivatives thereof as herbicide antidotes MONSANTO COMPANY (US) 1989-08-22 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 (5 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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 AKR1C1 485/4885KMT2A 78/4885HDAC4 638/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 AKR1C1 485/4885KMT2A 78/4885HDAC4 638/4885
US-10335410-B2 Heteroaryl compounds useful as inhibitors of sumo activating enzyme SAE1, SUMO1, SUMO3 AKR1C1 1646/4885KMT2A 993/4885HDAC4 969/4885
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 AKR1C1 1646/4885KMT2A 993/4885HDAC4 969/4885
US-10780090-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme SAE1, SUMO1, SUMO3 AKR1C1 1646/4885KMT2A 993/4885HDAC4 969/4885

“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.