SCHEMBL1705567

SCHEMBL1705567

CCc1c(C(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)ccnc1Oc1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
GUSB P08236 1/20 0.38
BRD4 O60885 1/20 0.38
HTR2C P28335 5/20 0.38
HTR7 P34969 4/20 0.38
HTR2A P28223 3/20 0.38
HTR1A P08908 2/20 0.38
HTR6 P50406 2/20 0.38
DRD3 P35462 1/20 0.38
CCR2 P41597 4/20 0.37
HRH4 Q9H3N8 1/20 0.36
EGFR P00533 5/20 0.36
NUAK1 O60285 1/20 0.36
NUAK2 Q9H093 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL1705603 1.00 SMN1; SMN2 (0.40) SMN1; SMN2GUSBBRD4HTR2CHTR7
SCHEMBL1706085 1.00 SMN1; SMN2 (0.40) SMN1; SMN2GUSBBRD4HTR2CHTR7
SCHEMBL12156278 0.94 SMN1; SMN2 (0.39) SMN1; SMN2GUSBBRD4HTR2CHTR7
SCHEMBL12156331 0.92 S1PR1 (0.43) SMN1; SMN2GUSBBRD4CCR2
SCHEMBL12156290 0.92 GUSB (0.38) SMN1; SMN2GUSBBRD4HTR2CHTR7
SCHEMBL12156232 0.90 HTR6 (0.43) SMN1; SMN2GUSBBRD4HTR2CHTR7
SCHEMBL12156241 0.90 SMN1; SMN2 (0.40) SMN1; SMN2GUSBBRD4HTR2CHTR7
SCHEMBL12156234 0.87 SMN1; SMN2 (0.40) SMN1; SMN2GUSBBRD4HTR2CHTR7
SCHEMBL12156390 0.86 S1PR1 (0.42) SMN1; SMN2BRD4EGFR
SCHEMBL12156416 0.85 S1PR1 (0.41) SMN1; SMN2GUSBBRD4EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177512-B1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO LTD (JP) 2012-04-18 EP disclosed
US-8048898-B2 Inhibitor of binding of S1P1 TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-11-01 US disclosed
US-8048898-B2 Inhibitor of binding of S1P1 TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-11-01 US disclosed
US-8048898-B2 Inhibitor of binding of S1P1 TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-11-01 US disclosed
US-20100234594-A1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 US disclosed
US-20100234594-A1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 US disclosed
US-20100234594-A1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 US disclosed
EP-2177512-A1 INHIBITOR OF BINDING OF S1P1 Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-21 EP 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-20100234594-A1 INHIBITOR OF BINDING OF S1P1 S1PR1, S1PR3, EDNRB SMN1; SMN2 1995/4885GUSB 3908/4885BRD4 3068/4885

“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.