SCHEMBL10476409

SCHEMBL10476409

CN1CCN(CCCN(Cc2ccc(C(=O)Nc3cscc3NC(=O)OC(C)(C)C)nc2)C(=O)NC2=COC=C(C3=CC=CCC3)O2)CC1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
USP2 O75604 1/20 0.32
AVPR1A P37288 2/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CSF1R P07333 1/20 0.30
FLT3 P36888 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ABL1 P00519 1/20 0.30
SRC P12931 1/20 0.30
ROCK2 O75116 1/20 0.30

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
SCHEMBL10476411 0.96 CSF1R (0.31) CSF1RFLT3ABL1SRC
SCHEMBL1497139 0.96 ROCK2 (0.32) TSHRUSP2ROCK2
SCHEMBL3232056 0.95 TSHR (0.34) TSHRUSP2AVPR1AMAPTKDM4E
SCHEMBL10476402 0.95 USP2 (0.38) TSHRUSP2MAPTKDM4EMEN1
SCHEMBL1496844 0.93 USP2 (0.36) TSHRUSP2MAPTKDM4EMEN1
SCHEMBL1496852 0.92 ROCK2 (0.31) ROCK2
SCHEMBL3226053 0.92 ABL1 (0.32) TSHRMAPTMEN1ALDH1A1GAA
SCHEMBL1496963 0.91 CASR (0.34) TSHRUSP2MAPTKDM4EMEN1
SCHEMBL10476401 0.90 HDAC1 (0.33)
SCHEMBL3221274 0.90 USP2 (0.40) TSHRUSP2MAPTKDM4EMEN1

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 2 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

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 TSHR 92/4885USP2 598/4885AVPR1A 1700/4885

“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.