SCHEMBL468987

SCHEMBL468987

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 1/20 0.37
KIT P10721 1/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
ABL2 P42684 1/20 0.37
NPC1 O15118 4/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
PYGL P06737 7/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 3/20 0.34
ESRRA P11474 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ABCB1 P08183 1/20 0.34
NHERF1 O14745 2/20 0.33
EGFR P00533 1/20 0.33
PIK3CA P42336 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL10111995 0.94 NPC1 (0.40) ADH1AKITFLT1FLT4KDR
SCHEMBL468985 0.94 NPC1 (0.39) ADH1AKITFLT1FLT4KDR
SCHEMBL10127489 0.92 NPC1 (0.37) NPC1KDM4EMAPTPYGLTP53
SCHEMBL468976 0.89 NPC1 (0.39) ADH1AKITFLT1FLT4KDR
SCHEMBL436461 0.89 ADH1A (0.49) ADH1AKITFLT1FLT4KDR
SCHEMBL15762925 0.89 ADH1A (0.41) ADH1AKITFLT1FLT4KDR
SCHEMBL15765368 0.88 ADH1A (0.38) ADH1AKITFLT1FLT4KDR
SCHEMBL17413316 0.88 NPC1 (0.38) ADH1AKITFLT1FLT4KDR
SCHEMBL10111909 0.88 NPC1 (0.42) ADH1AKITFLT1FLT4KDR
SCHEMBL15047618 0.88 EGFR (0.41) ADH1AKITFLT1FLT4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065149-A1 Vitamin receptor binding drug delivery conjugates VLAHOV IONTCHO R (US) 2012-03-15 US disclosed
US-8105568-B2 Vitamin receptor binding drug delivery conjugates ENDOCYTE, INC. (US) 2012-01-31 US disclosed
US-20100004276-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VLAHOV IONTCHO R 2010-01-07 US disclosed
US-7601332-B2 Minimized toxicity; eliminating pathogenic cell populations; synthesis; claimed intermediates ENDOCYTE, INC. (US) 2009-10-13 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 (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-20100004276-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VDR, CYP2R1, CYP24A1 ADH1A 2367/4885KIT 1430/4885FLT1 330/4885
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.