SCHEMBL1496947

SCHEMBL1496947

CN1CCN(CCCC(NC(=O)NCCc2ccccc2)c2ccc(C(=O)Nc3cscc3NC(=O)OC(C)(C)C)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.41
ACKR3 P25106 1/20 0.38
CTSK P43235 2/20 0.37
FGFR1 P11362 1/20 0.37
DRD2 P14416 3/20 0.35
DRD3 P35462 2/20 0.35
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
KMT2A Q03164 1/20 0.35
CACNA1F O60840 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TACR2 P21452 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
ADRA1D P25100 1/20 0.35
TACR1 P25103 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
ADRA1A P35348 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
SCHEMBL1496924 0.96 SIGMAR1 (0.39) SIGMAR1ACKR3CTSKFGFR1DRD2
SCHEMBL3223327 0.95 SIGMAR1 (0.43) SIGMAR1ACKR3CTSKFGFR1DRD2
SCHEMBL1496988 0.93 SIGMAR1 (0.39) SIGMAR1CTSKKMT2ATACR2
SCHEMBL1496874 0.91 SIGMAR1 (0.38) SIGMAR1CTSKKMT2ATACR2
SCHEMBL1496891 0.91 FGFR1 (0.38) ACKR3FGFR1DRD2HRH2HRH1
SCHEMBL3224428 0.91 SIGMAR1 (0.40) SIGMAR1CTSKFGFR1DRD2KMT2A
SCHEMBL1497011 0.90 SIGMAR1 (0.41) SIGMAR1TACR2
SCHEMBL1496925 0.89 CD274 (0.39) SIGMAR1CTSKKMT2ATACR2CCR2
SCHEMBL1496898 0.89 HDAC3 (0.38) SIGMAR1DRD2DRD3HRH2HRH1
SCHEMBL3218374 0.88 SIGMAR1 (0.40) SIGMAR1CTSKKMT2ATACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
EP-2292611-B1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-07-25 EP disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 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-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE CBR1, NAT1, PRMT1 SIGMAR1 50/4885ACKR3 579/4885CTSK 4401/4885

“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.