SCHEMBL436461

SCHEMBL436461

CCC(=O)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5CC(CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.49
KIT P10721 2/20 0.49
FLT1 P17948 2/20 0.49
KDR P35968 2/20 0.49
ABL2 P42684 2/20 0.49
FLT4 P35916 1/20 0.49
PYGL P06737 7/20 0.43
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
EGFR P00533 3/20 0.36
PIK3CA P42336 3/20 0.36
NHERF1 O14745 2/20 0.36
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL6512534 0.97 KDR (0.52) ADH1AKITFLT1KDRABL2
SCHEMBL6512526 0.97 KDR (0.52) ADH1AKITFLT1KDRABL2
SCHEMBL13669050 0.94 ADH1A (0.50) ADH1AKITFLT1KDRABL2
SCHEMBL15762925 0.94 ADH1A (0.41) ADH1AKITFLT1KDRABL2
Seco-Cbi-Indole SCHEMBL29468891 0.93 ADH1A (0.51) ADH1AKITFLT1KDRABL2
Seco-Cbi-Indole SCHEMBL12596993 0.93 ADH1A (0.51) ADH1AKITFLT1KDRABL2
SCHEMBL12508919 0.92 ADH1A (0.49) ADH1AKITFLT1KDRABL2
SCHEMBL468977 0.92 PYGL (0.41) ADH1AKITFLT1KDRABL2
SCHEMBL6518872 0.91 ADH1A (0.53) ADH1AKITFLT1KDRABL2
SCHEMBL6518871 0.91 ADH1A (0.53) ADH1AKITFLT1KDRABL2

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-20140154702-A1 Methods For Treating Cancer Using Combination Therapies ENDOCYTE INC (US) 2014-06-05 US disclosed
US-20120065149-A1 Vitamin receptor binding drug delivery conjugates VLAHOV IONTCHO R (US) 2012-03-15 US disclosed
US-20120065149-A1 Vitamin receptor binding drug delivery conjugates VLAHOV IONTCHO R (US) 2012-03-15 US 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-20120065149-A1 Vitamin receptor binding drug delivery conjugates VDR, CYP2R1, CYP24A1 ADH1A 2367/4885KIT 1430/4885FLT1 330/4885

“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.