SCHEMBL1661669

SCHEMBL1661669

CC(C)(C)C(=O)Nc1nc(Cl)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
RAB9A P51151 2/20 0.40
ADORA1 P30542 2/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.39
HPGD P15428 1/20 0.39
KLF5 Q13887 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDR P35968 2/20 0.39
PDGFRB P09619 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38

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
SCHEMBL267725 0.85 L3MBTL1 (0.44) KMT2AMEN1L3MBTL1HTTCNR1
SCHEMBL1047479 0.83 L3MBTL1 (0.43) KMT2AMEN1L3MBTL1HTTCNR1
SCHEMBL3326127 0.83 L3MBTL1 (0.43) KMT2AMEN1L3MBTL1HTTCNR1
SCHEMBL12780025 0.82 L3MBTL1 (0.42) KMT2AMEN1L3MBTL1HTTCNR1
SCHEMBL5374156 0.82 L3MBTL1 (0.42) KMT2AMEN1L3MBTL1HTTCNR1
SCHEMBL25386662 0.81 L3MBTL1 (0.41) KMT2AMEN1L3MBTL1HTTCNR1
SCHEMBL247107 0.81 L3MBTL1 (0.41) KMT2AMEN1L3MBTL1HTTCNR1
SCHEMBL30884722 0.81 PARP2 (0.45) KMT2AMEN1L3MBTL1HTTALDH1A1
SCHEMBL29193661 0.81 ALDH1A1 (0.41) KMT2AMEN1L3MBTL1HTTCNR1
SCHEMBL29951599 0.81 L3MBTL1 (0.41) KMT2AMEN1L3MBTL1HTTCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 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-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 KMT2A 3037/4885MEN1 684/4885L3MBTL1 4182/4885

“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.