SCHEMBL763778

SCHEMBL763778

CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCCCN2CCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
TP53 P04637 5/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
KIF11 P52732 6/20 0.47
SIRT1 Q96EB6 1/20 0.47
THRB P10828 1/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
POLB P06746 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
SCHEMBL763508 0.99 ESR1 (0.53) ESR1ESR2TP53MAPTSMN1; SMN2
SCHEMBL764756 0.98 ESR1 (0.53) ESR1ESR2TP53MAPTSMN1; SMN2
SCHEMBL8403829 0.97 ESR1 (0.53) ESR1ESR2TP53MAPTSMN1; SMN2
SCHEMBL763436 0.97 ESR1 (0.53) ESR1ESR2TP53MAPTSMN1; SMN2
SCHEMBL763502 0.96 ESR1 (0.52) ESR1ESR2TP53MAPTSMN1; SMN2
SCHEMBL763507 0.94 ESR1 (0.49) ESR1ESR2TP53MAPTSMN1; SMN2
SCHEMBL763647 0.94 TP53 (0.47) ESR1ESR2TP53MAPTSMN1; SMN2
SCHEMBL763815 0.93 TP53 (0.47) ESR1ESR2TP53MAPTSMN1; SMN2
SCHEMBL763442 0.93 LMNA (0.51) ESR1ESR2TP53MAPTSMN1; SMN2
SCHEMBL763735 0.92 HRH2 (0.49) ESR1ESR2TP53MAPTSMN1; 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130171103-A1 METHODS FOR TREATING VIRAL CONDITIONS PTC THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-20130171103-A1 METHODS FOR TREATING VIRAL CONDITIONS PTC THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-8372860-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-12 US disclosed
US-8372860-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-12 US disclosed
US-8367694-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-05 US disclosed
US-8367694-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-05 US disclosed
EP-1737461-B1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS INC (US) 2012-12-12 EP disclosed
US-20120129841-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2012-05-24 US disclosed
US-20120129841-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2012-05-24 US disclosed
EP-2431369-A2 Carboline derivatives useful in the inhibition of angiogenesis PTC Therapeutics, Inc. (US) 2012-03-21 EP disclosed
US-20100125065-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS, INC. 2010-05-20 US disclosed
US-7601840-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2009-10-13 US disclosed
US-7601840-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2009-10-13 US disclosed
WO-2008127714-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. (US) 2008-10-23 WO disclosed
WO-2008127715-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. (US) 2008-10-23 WO disclosed
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration PCT THERAPEUTICS, INC. (US) 2007-12-06 US disclosed
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration PCT THERAPEUTICS, INC. (US) 2007-12-06 US disclosed
US-20070254878-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2007-11-01 US disclosed
US-20070254878-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2007-11-01 US disclosed
WO-2005089764-A9 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS INC (US) 2007-09-13 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-20070254878-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES VEGFA, FLT4, FLT1 ESR1 2111/4885ESR2 825/4885TP53 52/4885
US-20120129841-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES VEGFA, FLT4, FLT1 ESR1 2536/4885ESR2 1207/4885TP53 61/4885
US-20130171103-A1 METHODS FOR TREATING VIRAL CONDITIONS EIF2AK2, POLRMT, POLM ESR1 4820/4885ESR2 4200/4885TP53 156/4885
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration VEGFA, FLT4, MIF ESR1 3414/4885ESR2 1908/4885TP53 448/4885
US-20100125065-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS VEGFA, FLT4, KDR ESR1 3911/4885ESR2 1352/4885TP53 784/4885

“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.