SCHEMBL1496924

SCHEMBL1496924

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
CTSK P43235 2/20 0.37
CCR2 P41597 2/20 0.36
ACKR3 P25106 1/20 0.35
FGFR1 P11362 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
NAMPT P43490 1/20 0.35
DRD2 P14416 1/20 0.34
HIF1A Q16665 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
SCD O00767 1/20 0.34
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL1496947 0.96 SIGMAR1 (0.41) SIGMAR1CTSKCCR2ACKR3FGFR1
SCHEMBL3224428 0.95 SIGMAR1 (0.40) SIGMAR1CTSKCCR2FGFR1SUCNR1
SCHEMBL1496925 0.93 CD274 (0.39) SIGMAR1CTSKCCR2KDM4EALDH1A1
SCHEMBL3223327 0.91 SIGMAR1 (0.43) SIGMAR1CTSKACKR3FGFR1SUCNR1
SCHEMBL1496988 0.89 SIGMAR1 (0.39) SIGMAR1CTSKKDM4EALDH1A1
SCHEMBL1496874 0.89 SIGMAR1 (0.38) SIGMAR1CTSKKDM4EALDH1A1
SCHEMBL1497137 0.88 HDAC3 (0.39) HIF1APOLBTSHRDYRK1ADYRK1B
SCHEMBL1496891 0.86 FGFR1 (0.38) ACKR3FGFR1DRD2HRH2HRH1
SCHEMBL1496866 0.86 UTS2R (0.44) CTSKHIF1A
SCHEMBL1497011 0.86 SIGMAR1 (0.41) SIGMAR1KDM4EALDH1A1

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 50/4885CTSK 4401/4885CCR2 111/4885

“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.