SCHEMBL3552954

SCHEMBL3552954

CCOC(=O)c1ccc(N2CCN(c3cccc(Br)c3)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ATM Q13315 2/20 0.50
TP53 P04637 1/20 0.47
HTT P42858 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
HSP90AA1 P07900 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX5 P09917 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 1/20 0.43
IDO1 P14902 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL3554080 0.86 CTSG (0.46) MAPTALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL25278937 0.78 HTT (0.55) MAPTHTTALDH1A1HPGDHSP90AA1
SCHEMBL25078177 0.76 MAPT (0.47) MAPTATMTP53HTTALDH1A1
SCHEMBL25276341 0.75 HTT (0.51) MAPTHTTALDH1A1HPGDHSP90AA1
SCHEMBL13006962 0.75 ALDH1A1 (0.56) MAPTALDH1A1HPGDTDP1HSD17B10
SCHEMBL245137 0.74 KDM4E (0.65) ALDH1A1MAPK1LMNASMN1; SMN2KMT2A
SCHEMBL29627840 0.74 KDM4E (0.65) ALDH1A1MAPK1LMNASMN1; SMN2KMT2A
SCHEMBL14423199 0.74 CTSG (0.46) MAPTALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL8915003 0.74 HTT (0.52) MAPTHTTALDH1A1HPGDHSP90AA1
SCHEMBL3559364 0.73 NPC1 (0.45) MAPTALDH1A1HPGDNPSR1CYP1A2

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
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
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
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 MAPT 4174/4885ATM 3804/4885TP53 4722/4885
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR2, S1PR5 MAPT 4174/4885ATM 3804/4885TP53 4722/4885

“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.