SCHEMBL527946

SCHEMBL527946

Cc1cc([N+](=O)[O-])ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
TSHR P16473 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
CYP3A4 P08684 4/20 0.50
ACHE P22303 2/20 0.40
GPR35 Q9HC97 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 4/20 0.39
CRHBP P24387 3/20 0.39
CRHR2 Q13324 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
PDE2A O00408 1/20 0.39
PDE5A O76074 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
APEX1 P27695 1/20 0.39
PDE4A P27815 1/20 0.39
BLM P54132 1/20 0.39
PDE1B Q01064 1/20 0.39

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
SCHEMBL29687732 1.00 ALDH1A1 (0.53) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL30236601 0.87 ALDH1A1 (0.53) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL1897857 0.87 ALDH1A1 (0.53) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL7249379 0.87 ALDH1A1 (0.43) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL15974099 0.83 ALDH1A1 (0.49) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL14746570 0.83 HSD17B10 (0.51) ALDH1A1TSHRTDP1GPR35HSD17B10
SCHEMBL29651878 0.83 ALDH1A1 (0.49) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL28453537 0.83 LMNA (0.43) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL18797069 0.83 CYP3A4 (0.51) ALDH1A1TSHRTDP1CYP3A4GPR35
SCHEMBL18117631 0.83 ALDH1A1 (0.41) ALDH1A1TSHRTDP1CYP3A4GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102219800-B Organic substituted boric acid ester, boron affinity functional material using organic substituted boric acid ester as functional monomer as well as preparation and application of organic substituted boric acid ester NANJING UNIVERSITY OF TECHNOLOGY 2015-02-25 CN claimed
CN-102219800-A Organic substituted boric acid ester, boron affinity functional material using organic substituted boric acid ester as functional monomer as well as preparation and application of organic substituted boric acid ester NANJING UNIVERSITY OF TECHNOLOGY 2011-10-19 CN claimed
US-12473296-B2 Perk inhibiting compounds HIBERCELL, INC. (US) 2025-11-18 US disclosed
WO-2024208315-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2024-10-10 WO disclosed
WO-2024145505-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS ACRIVON THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
CN-118221655-A Heterocyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-06-21 CN disclosed
CN-117886821-A Nitrogen-containing condensed ring derivative inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2024-04-16 CN disclosed
US-11548867-B2 Amido compounds as AhR modulators IDEA YA BIOSCIENCES, INC. (US) 2023-01-10 US disclosed
US-20220340875-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS IDEAYA BIOSCIENCES, INC. 2022-10-27 US disclosed
US-20220332722-A1 PERK INHIBITING COMPOUNDS HIBERCELL, INC. 2022-10-20 US disclosed
EP-4021893-A1 PERK INHIBITING COMPOUNDS Hibercell, Inc. (US) 2022-07-06 EP disclosed
WO-2012015723-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 WO disclosed
CN-102219800-A Organic substituted boric acid ester, boron affinity functional material using organic substituted boric acid ester as functional monomer as well as preparation and application of organic substituted boric acid ester NANJING UNIVERSITY OF TECHNOLOGY 2011-10-19 CN disclosed
US-7868023-B2 Thiophene sulfoximines, compositions thereof, and methods of treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA NV (BE) 2011-01-11 US disclosed
EP-1863785-B1 NOVEL THIOPHENE SULFOXIMINES FOR TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS JANSSEN PHARMACEUTICA NV (BE) 2009-12-02 EP disclosed
US-20080255108-A1 NOVEL THIOPHENE SULFOXIMINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS SUBASINGHE NALIN L 2008-10-16 US disclosed
US-7385066-B2 Thiophene sulfoximines, compositions thereof, and methods of treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-10 US disclosed
EP-1863785-A1 NOVEL THIOPHENE SULFOXIMINES FOR TREATING CMPLEMENT-MEDIATED DESEASES AND CONDITIONS JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-12 EP disclosed
US-20070066667-A1 Novel thiophene sulfoximines, compositions thereof, and methods treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 US disclosed
WO-2006101860-A1 NOVEL THIOPHENE SULFOXIMINES FOR TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-28 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 (6 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-20080255108-A1 NOVEL THIOPHENE SULFOXIMINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS C5, C1R, C1QBP ALDH1A1 1594/4885TSHR 136/4885TDP1 3347/4885
US-20070066667-A1 Novel thiophene sulfoximines, compositions thereof, and methods treating complement-mediated diseases and conditions C5, C1QBP, C1R ALDH1A1 1405/4885TSHR 193/4885TDP1 3170/4885
US-20220332722-A1 PERK INHIBITING COMPOUNDS ATF4, EEF2K, ERN1 ALDH1A1 2734/4885TSHR 4112/4885TDP1 2842/4885
US-20220340875-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS AHR, MCL1, ARNT ALDH1A1 172/4885TSHR 483/4885TDP1 4233/4885
US-12473296-B2 Perk inhibiting compounds MAPK1, ERN1, MAP3K20 ALDH1A1 1102/4885TSHR 4533/4885TDP1 2105/4885
US-11548867-B2 Amido compounds as AhR modulators AHR, ARNT, RXRB ALDH1A1 879/4885TSHR 210/4885TDP1 4039/4885

“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.