SCHEMBL1008979

SCHEMBL1008979

Oc1ccc(OCCBr)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.55
NR5A1 Q13285 1/20 0.55
MGAM O43451 3/20 0.50
GAA P10253 3/20 0.50
SI P14410 3/20 0.50
MGAM2 Q2M2H8 3/20 0.50
DRD4 P21917 2/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTGS2 P35354 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HIF1A Q16665 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46

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
SCHEMBL4692348 0.88 LTA4H (0.59) LTA4HNR5A1DRD4DRD2DRD3
SCHEMBL8140756 0.87 NPC1 (0.47) LTA4HMGAMGAASIMGAM2
SCHEMBL21538787 0.87 MAPT (0.54) LTA4HNR5A1MGAMGAASI
SCHEMBL9451166 0.87 LMNA (0.54) GAALMNAESR1ESR2
SCHEMBL15227716 0.86 NR5A1 (0.62) LTA4HNR5A1DRD4DRD2DRD3
SCHEMBL226548 0.85 LTA4H (0.64) LTA4HNR5A1DRD4DRD2DRD3
SCHEMBL10921904 0.85 NR5A1 (0.66) LTA4HNR5A1GAADRD4DRD2
SCHEMBL3227718 0.85 NR5A1 (0.66) LTA4HNR5A1GAADRD4DRD2
SCHEMBL13749668 0.85 NR5A1 (0.66) LTA4HNR5A1GAADRD4DRD2
SCHEMBL2470706 0.82 NR5A1 (0.75) LTA4HNR5A1DRD4DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109461-A1 BENZOTHIOPHENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国科学院上海药物研究所 2023-06-22 WO disclosed
CN-116265458-A Benzothiophene derivative, preparation method and application thereof 中国科学院上海药物研究所 2023-06-20 CN disclosed
EP-2819993-B1 ROS-ACTIVATED COMPOUNDS AS SELECTIVE ANTI-CANCER THERAPEUTICS UNIV CINCINNATI (US) 2020-09-02 EP disclosed
US-9394233-B2 ROS-activated compounds as selective anti-cancer therapeutics CINCINNATI CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2016-07-19 US disclosed
EP-2819993-A1 ROS-ACTIVATED COMPOUNDS AS SELECTIVE ANTI-CANCER THERAPEUTICS University Of Cincinnati (US) 2015-01-07 EP disclosed
EP-2268646-B9 THIAZOLOPYRIDIN-2-YLOXY-PHENYL AND THIAZOLOPYRAZIN-2-YLOXY-PHENYL AMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2014-11-19 EP disclosed
EP-2268646-B1 THIAZOLOPYRIDIN-2-YLOXY-PHENYL AND THIAZOLOPYRAZIN-2-YLOXY-PHENYL AMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2013-10-02 EP disclosed
WO-2013130968-A1 ROS-ACTIVATED COMPOUNDS AS SELECTIVE ANTI-CANCER THERAPEUTICS UNIVERSITY OF CINCINNATI (US) 2013-09-06 WO disclosed
US-20130230542-A1 ROS-Activated Compounds as Selective Anti-Cancer Therapeutics CINCINNATI CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2013-09-05 US disclosed
US-8357684-B2 Thyazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-01-22 US disclosed
US-4329289-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1982-05-11 US disclosed
US-4314085-A Intermediates for preparing adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1982-02-02 US disclosed
US-4310527-A DISORDERS OF CAROIAC RHYTHM AND CORONARY HEART DISEASES AND HYDPERTENSION CIBA-GEIGY CORPORATION (US) 1982-01-12 US disclosed
US-4304721-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1981-12-08 US disclosed
US-4301300-A ADRENERGIC BLOCKING AGENTS HOFFMANN-LA ROCHE INC. (US) 1981-11-17 US disclosed
US-4285873-A ANTIANDROGENS HOFFMANN-LA ROCHE INC. (US) 1981-08-25 US disclosed
US-4281189-A Sulfonamide intermediates for adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1981-07-28 US disclosed
US-4278608-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1981-07-14 US disclosed
US-4247710-A THE 3'-HYDROXY, -BENZYLOXY, OR -HALO DERIVATIVES OF METHYL 4-((2'-HYDROXYPROPYL)OXY)PHENYLACETATE HOFFMANN-LA ROCHE INC. (US) 1981-01-27 US disclosed
US-4202978-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE, ANTISECRETORY, SPASMOLYTIC HOFFMANN-LA ROCHE INC. (US) 1980-05-13 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 (1 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-20130230542-A1 ROS-Activated Compounds as Selective Anti-Cancer Therapeutics ROS1, NOX4, NOX1 LTA4H 3566/4885NR5A1 4292/4885MGAM 3996/4885

“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.