SCHEMBL2045506

SCHEMBL2045506

O=Cc1ccc(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 1/20 0.68
TSHR P16473 1/20 0.61
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CD274 Q9NZQ7 6/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
MAPK14 Q16539 1/20 0.52
HTR1A P08908 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL2016347 0.94 CD274 (0.64) PRF1ALDH1A1KDM4ECD274HPGD
SCHEMBL14395498 0.82 MEN1 (0.72) TSHRALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL2036308 0.82 PRF1 (1.00) PRF1TSHR
SCHEMBL2036305 0.82 PRF1 (1.00) PRF1TSHR
SCHEMBL12633381 0.82 PRF1 (1.00) PRF1TSHR
SCHEMBL2018172 0.81 PRF1 (0.63) PRF1ALDH1A1MAPK14
SCHEMBL3028602 0.79 TSHR (0.77) TSHRALDH1A1KDM4ESMN1; SMN2CD274
SCHEMBL8150783 0.79 CD274 (0.85) TSHRALDH1A1KDM4ESMN1; SMN2CD274
SCHEMBL2021463 0.78 PRF1 (0.61) PRF1ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL763452 0.77 HTT (0.78) TSHRALDH1A1KDM4ESMN1; SMN2CD274

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 PRF1 1/4885TSHR 3558/4885ALDH1A1 3531/4885

“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.