SCHEMBL1996333

SCHEMBL1996333

NC(=O)c1cccc(Br)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.52
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
METAP2 P50579 1/20 0.47
CXCR2 P25025 1/20 0.41
GAA P10253 1/20 0.41
PARP1 P09874 3/20 0.41
MMP2 P08253 1/20 0.41
BCAT2 O15382 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
PDPK1 O15530 1/20 0.40
MAOB P27338 1/20 0.40
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
AKR1C1 Q04828 2/20 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
SCHEMBL31700607 1.00 ERN1 (0.52) ERN1KDM4EALDH1A1MAPTHPGD
SCHEMBL698742 0.84 KDM4E (0.61) ERN1KDM4EALDH1A1MAPTHPGD
Ethyl Acetate SCHEMBL29014943 0.82 ALDH1A1 (0.41) ERN1KDM4EALDH1A1MAPTHPGD
SCHEMBL3723645 0.81 KDM4E (0.58) ERN1KDM4EALDH1A1MAPTHPGD
SCHEMBL3170417 0.80 METAP2 (0.48) ERN1KDM4EALDH1A1MAPTHPGD
SCHEMBL438501 0.80 ALDH1A1 (0.57) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL30892252 0.80 ALDH1A1 (0.57) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL27675448 0.79 METAP2 (0.58) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL700922 0.79 METAP2 (0.58) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL2722234 0.79 CA1 (0.50) KDM4EALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024296-B Preparation method of labetalol hydrochloride 四川伊诺达博医药科技有限公司 2026-03-17 CN disclosed
US-20250319056-A1 METHODS FOR TREATING CANCER UNIV INDIANA TRUSTEES (US) 2025-10-16 US disclosed
WO-2025121436-A1 BICYCLIC HETEROCYCLIC COMPOUND AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2025-06-12 WO disclosed
US-20240327442-A1 CONTROLLING METAL-ORGANIC FRAMEWORK MORPHOLOGY THROUGH COORDINATIVE MIMICRY ExxonMobil Technology and Engineering Company 2024-10-03 US disclosed
EP-4380944-A1 CONTROLLING METAL-ORGANIC FRAMEWORK MORPHOLOGY THROUGH COORDINATIVE MIMICRY The Regents of the University of California (US) 2024-06-12 EP disclosed
CN-118076618-A Control of metal-organic framework morphology by coordination modeling 加利福尼亚大学董事会 2024-05-24 CN disclosed
CN-117024296-A Preparation method of labetalol hydrochloride 四川伊诺达博医药科技有限公司 2023-11-10 CN disclosed
CN-116253698-A 5-phenyl-1, 3,2, 4-dioxathiazole 2-oxide and preparation thereof 张家港市国泰华荣化工新材料有限公司 2023-06-13 CN disclosed
WO-2023014513-A1 CONTROLLING METAL-ORGANIC FRAMEWORK MORPHOLOGY THROUGH COORDINATIVE MIMICRY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-02-09 WO disclosed
CN-113081968-A Oral gel powder for treating livestock and poultry diseases and preparation method thereof 泰州骏道立同生物科技有限公司 2021-07-09 CN disclosed
EP-2336113-A1 CRTH2 Receptor Ligands for Medical Use 7TM Pharma A/S (DK) 2011-06-22 EP disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US disclosed
US-20080234370-A1 Calcium receptor antagonists; 3-{3,4-Difluoro-[(R)-2-hydroxy-3-(2-indan-2-yl-1,1-dimethyl-ethylamino)-propoxy]-phenyl}-propionic acid; bone disorders; hypoparathyroidism, osteosarcoma, periodontal disease, fracture healing,arthritis, Paget's disease, humoral hypercalcemia, osteoporosis MARQUIS ROBERT W 2008-09-25 US disclosed
US-20080234370-A1 Calcium receptor antagonists; 3-{3,4-Difluoro-[(R)-2-hydroxy-3-(2-indan-2-yl-1,1-dimethyl-ethylamino)-propoxy]-phenyl}-propionic acid; bone disorders; hypoparathyroidism, osteosarcoma, periodontal disease, fracture healing,arthritis, Paget's disease, humoral hypercalcemia, osteoporosis MARQUIS ROBERT W 2008-09-25 US disclosed
US-20080234370-A1 Calcium receptor antagonists; 3-{3,4-Difluoro-[(R)-2-hydroxy-3-(2-indan-2-yl-1,1-dimethyl-ethylamino)-propoxy]-phenyl}-propionic acid; bone disorders; hypoparathyroidism, osteosarcoma, periodontal disease, fracture healing,arthritis, Paget's disease, humoral hypercalcemia, osteoporosis MARQUIS ROBERT W 2008-09-25 US disclosed
EP-1713767-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-01-16 EP disclosed
EP-1758579-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM Pharma A/S (DK) 2007-03-07 EP disclosed
EP-1713767-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP disclosed
WO-2005115382-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM PHARMA A/S (DK) 2005-12-08 WO disclosed
WO-2005077892-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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 (4 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-20080234370-A1 Calcium receptor antagonists; 3-{3,4-Difluoro-[(R)-2-hydroxy-3-(2-indan-2-yl-1,1-dimethyl-ethylamino)-propoxy]-phenyl}-propionic acid; bone disorders; hypoparathyroidism, osteosarcoma, periodontal disease, fracture healing,arthritis, Paget's disease, humoral hypercalcemia, osteoporosis PTH1R, CASR, CALCR ERN1 2306/4885KDM4E 3299/4885ALDH1A1 2851/4885
US-20240327442-A1 CONTROLLING METAL-ORGANIC FRAMEWORK MORPHOLOGY THROUGH COORDINATIVE MIMICRY TPR, CA4, CA2 ERN1 4781/4885KDM4E 868/4885ALDH1A1 2513/4885
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses HRH1, HRH2, HRH3 ERN1 3739/4885KDM4E 4637/4885ALDH1A1 532/4885
US-20250319056-A1 METHODS FOR TREATING CANCER HSP90AB1, HSP90B1, HSP90AB2P ERN1 2613/4885KDM4E 3488/4885ALDH1A1 2316/4885

“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.