SCHEMBL1496943

SCHEMBL1496943

CC(C)NC(=O)N(CCN1CCN(C)CC1)Cc1ccc(C(=O)Nc2cscc2N)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C18 P33260 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC3 O15379 5/20 0.36
HDAC2 Q92769 3/20 0.36
MCHR1 Q99705 3/20 0.36
PDCD1 Q15116 4/20 0.35
CD274 Q9NZQ7 4/20 0.35
CSF1R P07333 1/20 0.35
FLT3 P36888 1/20 0.35
AVPR1A P37288 1/20 0.35
MAPK14 Q16539 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL1482326 0.95 AVPR1A (0.41) KCNH2CYP1A2CYP2C18CYP2C19HDAC3
SCHEMBL4224059 0.89 HDAC1 (0.43) KCNH2HDAC3HDAC2MCHR1HDAC1
SCHEMBL1496929 0.88 ALDH1A1 (0.39) KCNH2CYP1A2CYP2C18CYP2C19HDAC3
SCHEMBL1496902 0.88 AVPR1A (0.39) KCNH2CYP1A2CYP2C18CYP2C19HDAC3
SCHEMBL1497121 0.88 KDM4E (0.40) KCNH2CYP1A2CYP2C18CYP2C19HDAC3
SCHEMBL1497036 0.87 USP2 (0.45) HRH3ALDH1A1GAAMEN1KMT2A
SCHEMBL1496879 0.86 CSF1R (0.36) CYP1A2CYP2C19MCHR1PDCD1CD274
SCHEMBL1497079 0.86 USP2 (0.42) HRH3ALDH1A1GAAMEN1KMT2A
SCHEMBL1482611 0.85 PDCD1 (0.38) HDAC3HDAC2PDCD1CD274HDAC1
SCHEMBL7999005 0.85 HDAC3 (0.39) KCNH2CYP1A2CYP2C18CYP2C19HDAC3

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
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 KCNH2 1336/4885CYP1A2 1034/4885CYP2C18 1918/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 KCNH2 1246/4885CYP1A2 296/4885CYP2C18 793/4885

“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.