SCHEMBL12373642

SCHEMBL12373642

CCn1c(C(C)NS(=O)(=O)c2cc(Br)ccc2Br)cnc1Oc1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
GLA P06280 1/20 0.34
EDNRB P24530 2/20 0.34
EDNRA P25101 2/20 0.34
S1PR1 P21453 6/20 0.34
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
CNR1 P21554 1/20 0.33
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
P2RX3 P56373 1/20 0.32
S1PR3 Q99500 1/20 0.32

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
SCHEMBL12373646 0.93 CNR1 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2GLA
SCHEMBL12373560 0.91 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2GLAEDNRBEDNRA
SCHEMBL12373601 0.91 CNR1 (0.35) MEN1KMT2ASMN1; SMN2GLAS1PR1
SCHEMBL12373603 0.91 CA1 (0.40) MEN1KMT2ASMN1; SMN2GLAS1PR1
SCHEMBL12373621 0.89 NMT1 (0.39) MEN1KMT2ASMN1; SMN2S1PR1MAPT
SCHEMBL12373684 0.89 S1PR1 (0.36) MEN1KMT2ASMN1; SMN2GLAS1PR1
SCHEMBL12373466 0.89 POLB (0.40) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL12373672 0.89 S1PR1 (0.45) S1PR1CYP3A4CYP2C19
SCHEMBL12373762 0.87 S1PR1 (0.38) S1PR1CYP3A4CNR1
SCHEMBL12373464 0.87 KDM4E (0.41) KMT2AALDH1A1S1PR1CNR1S1PR3

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 MEN1 1204/4885KMT2A 3906/4885ALDH1A1 2969/4885

“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.