SCHEMBL2680583

SCHEMBL2680583

O=C1c2ccccc2C(=O)N1CC(O)CN1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
GLA P06280 1/20 0.56
POLB P06746 1/20 0.54
ADORA2A P29274 1/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 3/20 0.50
MAPK1 P28482 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
ABCB1 P08183 2/20 0.49
MAPT P10636 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.48

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
SCHEMBL8285114 0.85 USP2 (0.56) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL8939993 0.85 ALDH1A1 (0.64) KDM4EKMT2AALDH1A1MAPK1MAPT
SCHEMBL17844966 0.82 MAPK1 (0.49) KDM4EKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL7436790 0.82 ADRA1D (0.58) KDM4EMAPK1GAA
SCHEMBL19753773 0.80 KMT2A (0.46) KDM4EKMT2AALDH1A1MAPK1MAPT
SCHEMBL7985824 0.80 SLC18A3 (0.63) MAPK1
SCHEMBL9400933 0.79 HTR1A (0.63) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL21033282 0.79 PRMT5 (0.67)
SCHEMBL11104845 0.78 ALDH1A1 (0.63) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL6996540 0.78 CARM1 (0.64) KMT2AMEN1ABCB1

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-8680139-B2 Anti-neoplastic compounds, compositions and methods PROGENRA (US) 2014-03-25 US disclosed
US-20120114765-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA 2012-05-10 US disclosed
WO-2010114881-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA INC. (US) 2010-10-07 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-20120114765-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS SERPINB1, TP53, CTSE KDM4E 4000/4885GLA 698/4885POLB 1043/4885

“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.