SCHEMBL8404339

SCHEMBL8404339

COc1ccc([C@@H]2CCCc3c2[nH]c2ccc(C)cc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.55
RECQL P46063 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.54
GAA P10253 1/20 0.51
CASP6 P55212 1/20 0.51
PRMT5 O14744 2/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
HTR2B P41595 2/20 0.48
CDKN1A P38936 1/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
KIF11 P52732 1/20 0.44
MAPKAPK2 P49137 2/20 0.44
MAPKAPK5 Q8IW41 1/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9610872 0.90 SIRT1 (0.62) SIRT1RECQLSIRT2GAACASP6
SCHEMBL13925709 0.87 SIRT1 (0.54) SIRT1ALDH1A1MAPTHTR2BHTR2A
SCHEMBL8404357 0.87 HTR2A (0.59) SIRT1SIRT2MAPTHTR2BHTR2A
SCHEMBL11199741 0.84 SIRT1 (0.60) SIRT1PRMT5ALDH1A1MAPTHTR2B
SCHEMBL13925785 0.83 HTR2A (0.58) SIRT1SIRT2MAPTHTR2BHTR2A
SCHEMBL8404340 0.81 HTR2C (0.67) ALDH1A1MAPTHTR2BHTR2AHTR2C
SCHEMBL8404341 0.81 HTR2C (0.67) ALDH1A1MAPTHTR2BHTR2AHTR2C
SCHEMBL25784905 0.80 HTR2A (0.66) SIRT1SIRT2MAPTHTR2BHTR2A
SCHEMBL5428515 0.79 GAA (0.64) SIRT1RECQLSIRT2GAACASP6
SCHEMBL15101410 0.76 SIRT1 (0.65) SIRT1RECQLSIRT2GAACASP6

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120129841-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2012-05-24 US disclosed
US-8076352-B2 Administration of carboline derivatives useful in the treatment of cancer and other diseases PTC THERAPEUTICS, INC. (US) 2011-12-13 US disclosed
US-20110160190-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS, INC. 2011-06-30 US disclosed
US-7767689-B2 Carboline derivatives useful in the treatment of cancer PTC THERAPEUTICS, INC. (US) 2010-08-03 US disclosed
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS, INC. 2010-07-15 US 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-20090227618-A2 Carboline Derivatives Useful in the Inhibition of Angiogenesis PTC THERAPEUTICS, INC. (US) 2009-09-10 US disclosed
US-20090227574-A2 Administration of Carboline Derivatives Useful in the Treatment of Cancer and Other Diseases PTC THERAPEUTICS, INC. (US) 2009-09-10 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20090227574-A2 Administration of Carboline Derivatives Useful in the Treatment of Cancer and Other Diseases VEGFA, FLT4, FLT1 SIRT1 277/4885RECQL 2382/4885SIRT2 355/4885
US-20110160190-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS VEGFA, FLT4, PGF SIRT1 395/4885RECQL 3545/4885SIRT2 273/4885
US-20070254878-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES VEGFA, FLT4, FLT1 SIRT1 277/4885RECQL 2382/4885SIRT2 355/4885
US-20120129841-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES VEGFA, FLT4, FLT1 SIRT1 316/4885RECQL 2436/4885SIRT2 406/4885
US-20090227618-A2 Carboline Derivatives Useful in the Inhibition of Angiogenesis VEGFA, FLT4, KDR SIRT1 293/4885RECQL 3220/4885SIRT2 278/4885
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 SIRT1 1165/4885RECQL 4244/4885SIRT2 1715/4885
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS VEGFA, FLT4, PGF SIRT1 395/4885RECQL 3545/4885SIRT2 273/4885
US-20100125065-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS VEGFA, FLT4, KDR SIRT1 293/4885RECQL 3220/4885SIRT2 278/4885

“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.