SCHEMBL5635596

SCHEMBL5635596

COc1ccc(CNC[C]=O)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 3/20 0.58
POLB P06746 2/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CA2 P00918 2/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA4 P22748 1/20 0.52
CA9 Q16790 1/20 0.52
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC8 Q9BY41 2/20 0.51

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
SCHEMBL1599701 0.85 KDM4E (0.69) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL29484286 0.85 KDM4E (0.69) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL8518764 0.83 POLB (0.63) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL21225366 0.83 KDM4E (0.58) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL5972208 0.82 KDM4E (0.75) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL31606732 0.82 KDM4E (0.75) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL20883584 0.81 POLB (0.56) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL1486249 0.81 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL4913843 0.80 KDM4E (0.63) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL25696997 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004765-A1 New compounds BIOVITRUM AB (SE) 2007-01-04 US claimed
WO-2006122931-A1 BETA-CARBOLINE DERIVATIVES AND THERI USE AS GHSR MODULATORS BIOVITRUM AB (PUBL) (SE) 2006-11-23 WO claimed
US-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists BIOVITRUM AB (SE) 2005-12-29 US claimed
WO-2005048916-A2 TETRAHYDROSPIRO-BETA-CARBOLINE-1,3 '-PYRROLIDINE DERIVATIVES AND THEIR USE IN GHSR-RELATED DISORDERS BIOVITRUM AB (SE) 2005-06-02 WO claimed
US-20070004765-A1 New compounds BIOVITRUM AB (SE) 2007-01-04 US disclosed
WO-2006122931-A1 BETA-CARBOLINE DERIVATIVES AND THERI USE AS GHSR MODULATORS BIOVITRUM AB (PUBL) (SE) 2006-11-23 WO disclosed
US-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists BIOVITRUM AB (SE) 2005-12-29 US disclosed
WO-2005048916-A2 TETRAHYDROSPIRO-BETA-CARBOLINE-1,3 '-PYRROLIDINE DERIVATIVES AND THEIR USE IN GHSR-RELATED DISORDERS BIOVITRUM AB (SE) 2005-06-02 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 (2 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-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists GHSR, GHRHR, PRLHR ALDH1A1 1919/4885KDM4E 4489/4885POLB 2762/4885
US-20070004765-A1 New compounds GHSR, GIPR, PRLHR ALDH1A1 763/4885KDM4E 4649/4885POLB 3127/4885

“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.