SCHEMBL3559417

SCHEMBL3559417

COC(=O)c1ccc(N2CCN(c3ccc(Cc4ccccc4)cc3)C2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CTSG P08311 1/20 0.49
CMA1 P23946 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.46
CASP3 P42574 1/20 0.45
LMNA P02545 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45

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
SCHEMBL3553014 0.85 EGFR (0.52) HDAC1MEN1KMT2AALDH1A1CTSG
SCHEMBL6158387 0.83 TSHR (0.67) ALDH1A1SMN1; SMN2CA1CA2MAPT
SCHEMBL3555743 0.81 CYP4A11 (0.54) HDAC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3561302 0.79 RAB9A (0.56) HDAC1MEN1KMT2ANPC1RAB9A
SCHEMBL3561569 0.78 NPC1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2CTSG
SCHEMBL3552039 0.77 CA1 (0.50) HDAC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13006962 0.76 ALDH1A1 (0.56) HDAC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL69454 0.76 LOXL2 (0.70) MEN1KMT2AALDH1A1SMN1; SMN2CA1
SCHEMBL3551549 0.75 CTSG (0.46) HDAC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3554080 0.75 CTSG (0.46) HDAC1MEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2010-12-16 US disclosed
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2010-12-16 US disclosed
US-7790707-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS INC. (US) 2010-09-07 US disclosed
US-7790707-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS INC. (US) 2010-09-07 US disclosed
EP-2010524-A2 S1P RECEPTOR MODULATING COMPOUNDS Epix Delaware, Inc. (US) 2009-01-07 EP disclosed
US-20080015177-A1 S1P receptor modulating compounds and use thereof AMGEN INC. 2008-01-17 US disclosed
US-20080015177-A1 S1P receptor modulating compounds and use thereof AMGEN INC. 2008-01-17 US disclosed
WO-2007109330-A2 S1P RECEPTOR MODULATING COMPOUNDS EPIX DELAWARE, INC. (US) 2007-09-27 WO disclosed
WO-2007109330-A2 S1P RECEPTOR MODULATING COMPOUNDS EPIX DELAWARE, INC. (US) 2007-09-27 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-20080015177-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR2, S1PR5 HDAC1 1593/4885MEN1 1502/4885KMT2A 2067/4885
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR2, S1PR5 HDAC1 1593/4885MEN1 1502/4885KMT2A 2067/4885

“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.