SCHEMBL1496949

SCHEMBL1496949

CN1CCN(CCN(Cc2ccc(C(=O)Nc3cscc3NC(=O)OC(C)(C)C)nc2)C(=O)Nc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALK Q9UM73 5/20 0.41
INSR P06213 4/20 0.41
UBE2M P61081 2/20 0.38
DCUN1D1 Q96GG9 2/20 0.38
FLT3 P36888 2/20 0.38
CSF1R P07333 1/20 0.38
POLB P06746 1/20 0.38
EPHX2 P34913 2/20 0.38
GAA P10253 4/20 0.37
ALDH1A1 P00352 3/20 0.37
THRB P10828 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
ABL1 P00519 3/20 0.37
NPM1 P06748 3/20 0.37
BCR P11274 3/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL1497008 0.96 ALDH1A1 (0.39) TP53L3MBTL1ALKINSRFLT3
SCHEMBL1496923 0.92 TSHR (0.41) TP53FLT3CSF1RGAAALDH1A1
SCHEMBL1496847 0.91 PIR (0.40) TP53POLBEPHX2GAAALDH1A1
SCHEMBL1496959 0.91 ALDH1A1 (0.43) TP53POLBEPHX2GAAALDH1A1
SCHEMBL9915261 0.90 ALK (0.37) TP53L3MBTL1ALKINSRFLT3
SCHEMBL3226024 0.90 ALDH1A1 (0.41) TP53L3MBTL1FLT3CSF1RPOLB
SCHEMBL1497019 0.89 NPC1 (0.40) TP53L3MBTL1GAAALDH1A1LMNA
SCHEMBL8001252 0.88 CSF1R (0.38) TP53FLT3CSF1RPOLBGAA
SCHEMBL1496832 0.88 GAA (0.43) TP53L3MBTL1GAAALDH1A1LMNA
SCHEMBL1497136 0.87 PIR (0.42) TP53GAAALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE CBR1, NAT1, PRMT1 TP53 740/4885L3MBTL1 900/4885ALK 61/4885

“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.