SCHEMBL1482270

SCHEMBL1482270

CCCNC(=O)NC(CCCCN1CCOCC1)c1ccc(C(=O)Nc2cscc2N)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
ROCK2 O75116 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
KCNH2 Q12809 1/20 0.36
AKT3 Q9Y243 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 3/20 0.36
LMNA P02545 2/20 0.36
KDR P35968 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
GAS6 Q14393 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 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
SCHEMBL1497039 0.91 CYP1A2 (0.37) SMN1; SMN2KCNH2KDM4EGAAHSD17B10
SCHEMBL4229197 0.90 HDAC1 (0.41) ALDH1A1KDM4EGAALMNAGLA
SCHEMBL1482240 0.90 ALDH1A1 (0.40) ALDH1A1KDM4EGAALMNAGLA
SCHEMBL4220661 0.89 ALDH1A1 (0.41) ALDH1A1KDM4EGAALMNAGLA
SCHEMBL4234525 0.89 HDAC1 (0.41) ALDH1A1KDM4EGAALMNAGLA
SCHEMBL1497209 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EGAALMNAGLA
SCHEMBL1496928 0.88 CD274 (0.40) SMN1; SMN2ALDH1A1KDM4EGAALMNA
SCHEMBL1497050 0.87 ALDH1A1 (0.40) ALDH1A1KDM4EGAALMNAMAPT
SCHEMBL1496856 0.87 CD274 (0.41) SMN1; SMN2ALDH1A1KDM4EGAALMNA
SCHEMBL1497007 0.85 ROCK2 (0.37) SMN1; SMN2ROCK2AKT1AKT2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292611-B1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-07-25 EP claimed
US-8198271-B2 Thiophenediamine derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-12 US claimed
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-31 US claimed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP claimed
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

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-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 SMN1; SMN2 4460/4885ROCK2 4568/4885AKT1 3237/4885

“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.