SCHEMBL12373927

SCHEMBL12373927

CCn1c(C(C)NS(=O)(=O)c2ccc3c(c2)CCC3)cnc1Oc1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
OGT O15294 1/20 0.38
HTR7 P34969 9/20 0.38
BRD1 O95696 1/20 0.38
BRPF1 P55201 1/20 0.38
HTR2C P28335 5/20 0.38
HTR2A P28223 4/20 0.38
HTR1A P08908 2/20 0.38
HTR6 P50406 2/20 0.38
DRD3 P35462 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PKM P14618 1/20 0.37
CACNA2D1 P54289 1/20 0.35

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
SCHEMBL2277665 0.88 S1PR1 (0.42) BRD4SMN1; SMN2HTR7HTR2CHTR2A
SCHEMBL12373920 0.88 HTR2C (0.43) BRD4HTR7HTR2CHTR2AHTR1A
SCHEMBL12162141 0.87 S1PR1 (0.48) BRD4SMN1; SMN2OGTHTR7HTR2C
SCHEMBL12373935 0.86 GUSB (0.40) BRD4SMN1; SMN2HTR7HTR2CHTR2A
SCHEMBL12373925 0.85 HTR7 (0.45) BRD4SMN1; SMN2HTR7HTR2CHTR2A
SCHEMBL12373788 0.85 HTR6 (0.46) BRD4SMN1; SMN2HTR7HTR2CHTR2A
SCHEMBL12373942 0.85 GUSB (0.44) BRD4SMN1; SMN2HTR7HTR2CHTR2A
SCHEMBL12373827 0.83 S1PR1 (0.42) SMN1; SMN2HTR7ALDH1A1LMNAMAPT
SCHEMBL12373795 0.80 S1PR1 (0.49) BRD4SMN1; SMN2HTR7ALDH1A1
SCHEMBL12373931 0.79 HTR2C (0.40) BRD4SMN1; SMN2HTR7HTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US 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-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE S1PR1, S1PR3, S1PR2 BRD4 2052/4885SMN1; SMN2 3091/4885OGT 3774/4885

“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.