SCHEMBL4986233

SCHEMBL4986233

Nc1ccc(-c2csc(-c3ccc(Br)cc3)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.73
RAB9A P51151 5/20 0.73
SMN1; SMN2 Q16637 5/20 0.73
LMNA P02545 4/20 0.73
MAPT P10636 5/20 0.64
NPC1 O15118 3/20 0.64
CYP19A1 P11511 2/20 0.59
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
LTA4H P09960 1/20 0.57
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SREBF2 Q12772 3/20 0.51
AR P10275 2/20 0.50
GAA P10253 1/20 0.50
RECQL P46063 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL11152023 0.85 RAB9A (0.58) KDM4ERAB9ASMN1; SMN2LMNAMAPT
SCHEMBL17336836 0.84 RAB9A (0.75) KDM4ERAB9ASMN1; SMN2LMNAMAPT
SCHEMBL3603144 0.84 RAB9A (0.75) KDM4ERAB9ASMN1; SMN2LMNAMAPT
SCHEMBL2220170 0.84 SREBF2 (0.70) KDM4ERAB9ASMN1; SMN2LMNAMAPT
SCHEMBL7972459 0.83 KDM4E (0.69) KDM4ERAB9ASMN1; SMN2LMNAMAPT
SCHEMBL26123239 0.83 KDM4E (0.73) KDM4ERAB9ASMN1; SMN2LMNAMAPT
SCHEMBL28493960 0.83 SMN1; SMN2 (0.73) KDM4ERAB9ASMN1; SMN2LMNAMAPT
SCHEMBL26118261 0.83 KDM4E (0.73) KDM4ERAB9ASMN1; SMN2LMNAMAPT
SCHEMBL7532072 0.83 KDM4E (0.73) KDM4ERAB9ASMN1; SMN2LMNAMAPT
SCHEMBL428793 0.80 RAB9A (0.96) KDM4ERAB9ASMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
EP-1781595-A1 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY Praecis Pharmaceuticals Inc. (US) 2007-05-09 EP disclosed
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2006-10-05 US disclosed
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHAMACEUTICALS, INC. (US) 2006-06-22 US disclosed
WO-2006020951-A1 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY PRAECIS PHARMACEUTICALS, INC. (US) 2006-02-23 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 (3 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-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 KDM4E 3325/4885RAB9A 2800/4885SMN1; SMN2 1924/4885
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 KDM4E 3325/4885RAB9A 2800/4885SMN1; SMN2 1924/4885
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 KDM4E 3325/4885RAB9A 2800/4885SMN1; SMN2 1924/4885

“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.