SCHEMBL1496919

SCHEMBL1496919

CN1CCN(CCN(Cc2ccc(C(=O)Nc3cscc3NC(=O)OC(C)(C)C)nc2)C(=O)NCCc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.41
NAMPT P43490 2/20 0.37
SUCNR1 Q9BXA5 2/20 0.37
DRD2 P14416 1/20 0.36
ACKR3 P25106 1/20 0.36
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
FGFR1 P11362 1/20 0.34
CSF1R P07333 1/20 0.34
FLT3 P36888 1/20 0.34
AVPR1A P37288 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ABL1 P00519 1/20 0.34
SRC P12931 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL1496941 0.96 SIGMAR1 (0.43) SIGMAR1NAMPTSUCNR1DRD2ACKR3
SCHEMBL1496917 0.95 SIGMAR1 (0.40) SIGMAR1NAMPTSUCNR1DRD2ACKR3
SCHEMBL3224387 0.95 SIGMAR1 (0.42) SIGMAR1NAMPTSUCNR1DRD2POLB
SCHEMBL8001525 0.93 POLB (0.42) SIGMAR1NAMPTPOLBTSHRKDM4E
SCHEMBL8001966 0.92 ACHE (0.36) SIGMAR1NAMPTSUCNR1HIF1ACTSL
SCHEMBL1497012 0.91 SIGMAR1 (0.42) SIGMAR1NAMPTSUCNR1DRD2ACKR3
SCHEMBL3223286 0.91 SIGMAR1 (0.45) SIGMAR1NAMPTSUCNR1DRD2ACKR3
SCHEMBL1496985 0.89 USP2 (0.45) SIGMAR1NAMPTPOLBTSHR
SCHEMBL1496980 0.89 SIGMAR1 (0.40) SIGMAR1ACKR3AVPR1A
SCHEMBL9915261 0.89 ALK (0.37) CSF1RFLT3ALDH1A1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288380-B2 Thiophenediamine derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-10-16 US disclosed
US-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
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-B1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-07-25 EP disclosed
US-8198271-B2 Thiophenediamine derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-31 US disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP disclosed
WO-2009142321-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE 参天製薬株式会社 (JP) 2009-11-26 WO 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 (2 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 50/4885NAMPT 2931/4885SUCNR1 2346/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 SIGMAR1 11/4885NAMPT 3366/4885SUCNR1 1348/4885

“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.