SCHEMBL1497043

SCHEMBL1497043

CN(C)CCN(Cc1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1)C(=O)NCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.42
HTR5A P47898 8/20 0.42
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
SLC6A4 P31645 2/20 0.38
HDAC1 Q13547 2/20 0.37
ROCK2 O75116 1/20 0.37
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR7 P34969 2/20 0.36
ADRA1B P35368 2/20 0.36
DRD3 P35462 2/20 0.36
HTR2B P41595 2/20 0.36
HTR6 P50406 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
SCHEMBL1496862 0.96 HTR5A (0.40) HIF1AHTR5ACKS1BSKP1SKP2
SCHEMBL1496875 0.92 HTR5A (0.39) HTR5ACKS1BSKP1SKP2HDAC1
SCHEMBL1496892 0.92 CTSK (0.38) HIF1AHTR5ACKS1BSKP1SKP2
SCHEMBL1496860 0.91 ROCK2 (0.38) HTR5AHDAC1ROCK2
SCHEMBL3233779 0.91 HTR5A (0.42) HIF1AHTR5ACKS1BSKP1SKP2
SCHEMBL1496843 0.90 KMT2A (0.40) HDAC1ROCK2
SCHEMBL1496893 0.89 POLB (0.37) HTR5AHDAC1ROCK2
SCHEMBL12831883 0.89 RAF1 (0.37) HIF1AHTR5ACKS1BSKP1SKP2
SCHEMBL1496967 0.88 HTR5A (0.40) HTR5ACKS1BSKP1SKP2SLC6A4
SCHEMBL1497447 0.88 HDAC1 (0.35) HTR5ACKS1BSKP1SKP2HDAC1

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 HIF1A 1202/4885HTR5A 1196/4885CKS1B 1466/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 HIF1A 2109/4885HTR5A 190/4885CKS1B 2296/4885

“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.