SCHEMBL2016347

SCHEMBL2016347

O=Cc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)s1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 11/20 0.64
HPGD P15428 1/20 0.64
PRF1 P14222 1/20 0.60
ALDH1A1 P00352 1/20 0.60
HTR1A P08908 1/20 0.60
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
KCNH2 Q12809 1/20 0.60
ERN1 O75460 1/20 0.57
HPGDS O60760 1/20 0.56
POLB P06746 1/20 0.54
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL2045506 0.94 PRF1 (0.68) CD274HPGDPRF1ALDH1A1HTR1A
SCHEMBL14761429 0.81 PRF1 (0.90) CD274HPGDPRF1
SCHEMBL2047025 0.81 PRF1 (0.90) CD274HPGDPRF1
SCHEMBL14761425 0.81 PRF1 (0.90) CD274HPGDPRF1
SCHEMBL1662866 0.81 CD274 (0.71) CD274HPGDALDH1A1HTR1AMAOA
SCHEMBL2021463 0.80 PRF1 (0.61) HPGDPRF1ALDH1A1POLBKDM4E
SCHEMBL8167646 0.78 CD274 (1.00) CD274HPGDALDH1A1HTR1AMAOA
SCHEMBL2018172 0.77 PRF1 (0.63) PRF1ALDH1A1POLB
SCHEMBL16574185 0.77 CD274 (0.79) CD274HPGDALDH1A1HTR1AMAOA
SCHEMBL6569882 0.77 CD274 (0.77) CD274HPGDALDH1A1HTR1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2013-03-14 US disclosed
EP-2515903-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF Peter MacCallum Cancer Institute (AU) 2012-10-31 EP disclosed
WO-2011075784-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2011-06-30 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 (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-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PRF1, GZMB, SERPINB1 CD274 386/4885HPGD 677/4885PRF1 1/4885

“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.