SCHEMBL773058

SCHEMBL773058

NCC(O)COc1ccc(Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
SLC2A1 P11166 1/20 0.56
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPSR1 Q6W5P4 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
IDE P14735 1/20 0.48
XBP1 P17861 1/20 0.48
PAX8 Q06710 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
ALOX15 P16050 1/20 0.46
NR2E1 Q9Y466 1/20 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
SCHEMBL10920777 0.90 CYP1A2 (0.68) CYP1A2CYP2D6SLC2A1KMT2ASMN1; SMN2
SCHEMBL11594971 0.87 KMT2A (0.57) CYP1A2CYP2D6SLC2A1KMT2ASMN1; SMN2
SCHEMBL11136429 0.85 CYP1A2 (0.59) CYP1A2CYP2D6SLC2A1KMT2ASMN1; SMN2
SCHEMBL10432959 0.85 CYP1A2 (0.62) CYP1A2CYP2D6SLC2A1KMT2ASMN1; SMN2
SCHEMBL10975711 0.85 CYP1A2 (0.62) CYP1A2CYP2D6SLC2A1KMT2ASMN1; SMN2
SCHEMBL16585154 0.84 NPSR1 (0.51) CYP1A2CYP2D6KMT2ASMN1; SMN2NPSR1
SCHEMBL773172 0.84 ALDH1A1 (0.56) CYP1A2CYP2D6SLC2A1KMT2ASMN1; SMN2
SCHEMBL773261 0.84 ALOX15 (0.59) CYP1A2CYP2D6KMT2ASMN1; SMN2NPSR1
SCHEMBL773246 0.84 NPSR1 (0.70) CYP1A2CYP2D6SLC2A1KMT2ASMN1; SMN2
SCHEMBL18182345 0.83 CYP1A2 (0.61) CYP1A2CYP2D6SLC2A1KMT2ASMN1; 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0086256-B1 1-(2,4-DICHLOROPHENOXY)-3-(3,4-DIMETHOXY-BETA-PHENETHYLAMINO)-PROPAN-2-0L, PROCESSES FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT VEB Arzneimittelwerk Dresden (DD) 1985-08-21 EP claimed
EP-0086256-A1 1-(2,4-Dichlorophenoxy)-3-(3,4-dimethoxy-beta-phenethylamino)-propan-2-0l, processes for its preparation and pharmaceutical compositions containing it VEB Arzneimittelwerk Dresden (DD) 1983-08-24 EP claimed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
EP-0086256-B1 1-(2,4-DICHLOROPHENOXY)-3-(3,4-DIMETHOXY-BETA-PHENETHYLAMINO)-PROPAN-2-0L, PROCESSES FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT VEB Arzneimittelwerk Dresden (DD) 1985-08-21 EP disclosed
EP-0086256-A1 1-(2,4-Dichlorophenoxy)-3-(3,4-dimethoxy-beta-phenethylamino)-propan-2-0l, processes for its preparation and pharmaceutical compositions containing it VEB Arzneimittelwerk Dresden (DD) 1983-08-24 EP disclosed
US-4110472-A CEREBROVASCULAR INSUFFICIENCY, PSYCHOSTIMULATION BAYER AKTIENGESELLSCHAFT (DE) 1978-08-29 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 (3 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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP CYP1A2 1089/4885CYP2D6 1288/4885SLC2A1 2304/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP CYP1A2 1089/4885CYP2D6 1288/4885SLC2A1 2304/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP CYP1A2 1089/4885CYP2D6 1288/4885SLC2A1 2304/4885

“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.