SCHEMBL8536389

SCHEMBL8536389

CC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NHERF1 O14745 1/20 0.55
▸ MCL1 Q07820 1/20 0.55
▸ TDP1 Q9NUW8 2/20 0.54
▸ ALDH1A1 P00352 7/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ HSD17B10 Q99714 1/20 0.50
▸ FSCN1 Q16658 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ TBXA2R P21731 2/20 0.47
▸ SLC25A1 P53007 1/20 0.46
▸ LMNA P02545 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ FLT1 P17948 1/20 0.45
▸ FLT4 P35916 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45

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
SCHEMBL29859684 1.00 NHERF1 (0.55) NHERF1MCL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL5172845 0.84 NHERF1 (0.58) NHERF1MCL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL17526121 0.83 ALDH1A1 (0.59) MCL1TDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL10422313 0.82 NHERF1 (0.55) NHERF1MCL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL29539120 0.82 TBXA2R (0.46) TDP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20789180 0.82 TBXA2R (0.46) TDP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8541216 0.79 TBXA2R (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL8906273 0.79 GPR35 (0.50) TDP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6110373 0.79 ALDH1A1 (0.59) NHERF1MCL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL29353514 0.79 ALDH1A1 (0.59) NHERF1MCL1TDP1ALDH1A1SMN1; SMN2

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
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-09 — — US disclosed
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-09 — — US disclosed
CN-114645068-A Enzymatic synthesis method of aromatic amine compound 上海合全药物研发有限公司 2022-06-21 — — CN disclosed
US-20200407328-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2020-12-31 — — US disclosed
US-10738016-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-08-11 — — US disclosed
US-20190055203-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2019-02-21 — — US disclosed
US-20170226065-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-08-10 — — US disclosed
US-20170226065-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-08-10 — — US disclosed
WO-2017066428-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2017-04-20 — — WO disclosed
US-5854179-A Sulfur-substituted phenylsulfonylureas, processes for their preparation and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 1998-12-29 — — US disclosed
EP-0842154-A1 SUBSTITUTED HYDRAZINOPHENYLSULFONYL UREAS, A PROCESS FOR PREPARING THE SAME AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1998-05-20 — — EP disclosed
EP-0790984-A1 SULPHUR-SUBSTITUTED PHENYL SULPHONYL UREAS, PROCESS FOR THEIR PRODUCTION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1997-08-27 — — EP disclosed
EP-0790985-A1 N-ACYL-N-ALKYLAMINO PHENYL SULPHONYL UREAS WITH SULPHUR SUBSTITUENTS, PROCESS FOR THEIR PRODUCTION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1997-08-27 — — EP disclosed
WO-1997000247-A1 SUBSTITUTED HYDRAZINOPHENYLSULFONYL UREAS, A PROCESS FOR PREPARING THE SAME AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1997-01-03 — — WO disclosed
WO-1996014304-A1 N-ACYL-N-ALKYLAMINO PHENYL SULPHONYL UREAS WITH SULPHUR SUBSTITUENTS, PROCESS FOR THEIR PRODUCTION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1996-05-17 — — WO disclosed
WO-1996014303-A1 SULPHUR-SUBSTITUTED PHENYL SULPHONYL UREAS, PROCESS FOR THEIR PRODUCTION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1996-05-17 — — WO 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-20200407328-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT NHERF1 3747/4885MCL1 218/4885TDP1 2163/4885
US-10738016-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT NHERF1 3747/4885MCL1 218/4885TDP1 2163/4885
US-20190055203-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT NHERF1 3882/4885MCL1 68/4885TDP1 1727/4885
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT NHERF1 3747/4885MCL1 218/4885TDP1 2163/4885
US-20170226065-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT NHERF1 3882/4885MCL1 68/4885TDP1 1727/4885

“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.

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