SCHEMBL1482834

SCHEMBL1482834

CN(C)CCC(NC(=O)Nc1nccs1)c1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.45
ADORA2A P29274 1/20 0.40
UTS2R Q9UKP6 7/20 0.39
L3MBTL1 Q9Y468 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FFAR2 O15552 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
LMNA P02545 1/20 0.34
METAP2 P50579 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL4233242 0.94 METAP1 (0.49) METAP1ADORA2AUTS2RL3MBTL1NPC1
SCHEMBL4227705 0.89 METAP1 (0.47) METAP1ADORA2AUTS2RL3MBTL1NPC1
SCHEMBL10476436 0.88 UTS2R (0.44) UTS2RROCK2ROCK1
SCHEMBL11899951 0.88 UTS2R (0.40) UTS2RROCK2ROCK1
SCHEMBL1497094 0.87 UTS2R (0.40) UTS2RROCK2ROCK1
SCHEMBL1482723 0.86 UTS2R (0.40) METAP1ADORA2AUTS2RL3MBTL1NPC1
SCHEMBL1496965 0.86 UTS2R (0.39) UTS2RROCK2ROCK1
SCHEMBL1497125 0.85 NAMPT (0.42) UTS2RNPC1RAB9AALDH1A1ROCK2
SCHEMBL1496871 0.85 UTS2R (0.47) UTS2RNPC1RAB9AALDH1A1ROCK2
SCHEMBL10476403 0.85 UTS2R (0.38) UTS2RROCK2ROCK1

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 5 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-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 (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 METAP1 2026/4885ADORA2A 520/4885UTS2R 195/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 METAP1 258/4885ADORA2A 1075/4885UTS2R 10/4885

“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.