SCHEMBL1496941

SCHEMBL1496941

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.43
AVPR1A P37288 5/20 0.39
ACKR3 P25106 1/20 0.38
USP2 O75604 1/20 0.36
FGFR1 P11362 1/20 0.36
NAMPT P43490 3/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
DRD2 P14416 1/20 0.36
KDM1A O60341 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
SCHEMBL1496919 0.96 SIGMAR1 (0.41) SIGMAR1AVPR1AACKR3FGFR1NAMPT
SCHEMBL1497012 0.95 SIGMAR1 (0.42) SIGMAR1ACKR3USP2NAMPTSUCNR1
SCHEMBL3223286 0.95 SIGMAR1 (0.45) SIGMAR1AVPR1AACKR3USP2FGFR1
SCHEMBL1496985 0.93 USP2 (0.45) SIGMAR1USP2NAMPT
SCHEMBL1496980 0.93 SIGMAR1 (0.40) SIGMAR1AVPR1AACKR3USP2
SCHEMBL1496887 0.92 HDAC1 (0.40) SIGMAR1AVPR1AACKR3USP2FGFR1
SCHEMBL1496867 0.91 USP2 (0.43) SIGMAR1USP2NAMPT
SCHEMBL1496917 0.91 SIGMAR1 (0.40) SIGMAR1ACKR3NAMPTSUCNR1DRD2
SCHEMBL11892994 0.91 SIGMAR1 (0.40) SIGMAR1AVPR1AACKR3FGFR1NAMPT
SCHEMBL3224387 0.91 SIGMAR1 (0.42) SIGMAR1AVPR1AFGFR1NAMPTSUCNR1

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 9 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
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 50/4885AVPR1A 1700/4885ACKR3 579/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 SIGMAR1 11/4885AVPR1A 548/4885ACKR3 1361/4885

“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.