SCHEMBL4223397

SCHEMBL4223397

Cc1cccc(NC(=O)N(CCCN2CCOCC2)Cc2ccc(C(=O)Nc3ccccc3N)nc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
MAPT P10636 3/20 0.52
HSD17B10 Q99714 2/20 0.52
LMNA P02545 4/20 0.51
USP2 O75604 3/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 6/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.48
EPHX2 P34913 1/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX15 P16050 1/20 0.46
ROCK2 O75116 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46

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
SCHEMBL4229389 0.98 TSHR (0.51) TSHRMAPTHSD17B10LMNAUSP2
SCHEMBL4225475 0.97 TSHR (0.50) TSHRMAPTHSD17B10LMNAUSP2
SCHEMBL4232487 0.92 TSHR (0.52) TSHRMAPTHSD17B10LMNAUSP2
SCHEMBL2384653 0.92 MAPT (0.63) TSHRMAPTHSD17B10LMNAUSP2
SCHEMBL4225216 0.91 MAPT (0.56) TSHRMAPTHSD17B10LMNAUSP2
SCHEMBL13569890 0.91 LMNA (0.49) TSHRMAPTHSD17B10LMNAUSP2
SCHEMBL2384337 0.91 DCUN1D1 (0.46) TSHRMAPTHSD17B10LMNAUSP2
SCHEMBL13569958 0.90 LMNA (0.49) TSHRMAPTHSD17B10LMNAUSP2
SCHEMBL4225238 0.90 MAPT (0.52) TSHRMAPTHSD17B10LMNAUSP2
SCHEMBL4219720 0.90 ALDH1A1 (0.51) TSHRMAPTHSD17B10LMNAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012972-B2 Pyridinecarboxylic acid (2-aminophenyl) amide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-06 US disclosed
US-8012972-B2 Pyridinecarboxylic acid (2-aminophenyl) amide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-06 US disclosed
US-20100063045-A1 NOVEL PYRIDINECARBOXYLIC ACID (2-AMINOPHENYL) AMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-11 US disclosed
US-20100063045-A1 NOVEL PYRIDINECARBOXYLIC ACID (2-AMINOPHENYL) AMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-11 US disclosed
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
EP-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 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-20100063045-A1 NOVEL PYRIDINECARBOXYLIC ACID (2-AMINOPHENYL) AMIDE DERIVATIVE HAVING UREA STRUCTURE HCAR1, CBR1, UACA TSHR 167/4885MAPT 3774/4885HSD17B10 1003/4885
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 TSHR 4241/4885MAPT 544/4885HSD17B10 625/4885

“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.