SCHEMBL435462

SCHEMBL435462

CC(=O)Oc1cc2c(c3ccccc13)C(CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4cc(C)ccc4[nH]3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 6/20 0.41
RAB9A P51151 5/20 0.41
RXFP1 Q9HBX9 2/20 0.41
ADH1A P07327 1/20 0.38
KIT P10721 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
ABL2 P42684 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
PYGL P06737 2/20 0.37
PYGM P11217 1/20 0.37
HDAC2 Q92769 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
AKR1C3 P42330 2/20 0.36
MMP13 P45452 1/20 0.35

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
SCHEMBL10111958 1.00 TP53 (0.44) TP53POLBNPC1RAB9ARXFP1
SCHEMBL10111779 0.96 TP53 (0.41) TP53POLBNPC1RAB9ARXFP1
SCHEMBL15047618 0.94 EGFR (0.41) NPC1RAB9AADH1AKITFLT1
SCHEMBL15765368 0.93 ADH1A (0.38) TP53POLBNPC1RAB9AADH1A
SCHEMBL468985 0.93 NPC1 (0.39) TP53POLBNPC1RAB9ARXFP1
SCHEMBL13564492 0.93 MEN1 (0.41) TP53POLBNPC1RAB9AADH1A
SCHEMBL14586783 0.92 NPC1 (0.40) NPC1RAB9ARXFP1ADH1AKIT
SCHEMBL20885067 0.92 HDAC2 (0.38) TP53POLBNPC1RAB9AADH1A
SCHEMBL20787444 0.91 ADH1A (0.41) NPC1RAB9ARXFP1ADH1AKIT
SCHEMBL16946488 0.91 ADH1A (0.41) NPC1RAB9ARXFP1ADH1AKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9192682-B2 Folate receptor binding conjugates of antifolates ENDOCYTE, INC. (IN) 2015-11-24 US disclosed
US-20140213760-A1 Folate Receptor Binding Conjugates of Antifolates ENDOCYTE, INC. (US) 2014-07-31 US disclosed
US-20140154702-A1 Methods For Treating Cancer Using Combination Therapies ENDOCYTE INC (US) 2014-06-05 US disclosed
US-20140058063-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES ENDOCYTE, INC. (US) 2014-02-27 US disclosed
US-20140058063-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES ENDOCYTE, INC. (US) 2014-02-27 US disclosed
US-8546425-B2 Folate receptor binding conjugates of antifolates PURDUE RESEARCH FOUNDATION (US) 2013-10-01 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
US-8105568-B2 Vitamin receptor binding drug delivery conjugates ENDOCYTE, INC. (US) 2012-01-31 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-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
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 (4 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-20140213760-A1 Folate Receptor Binding Conjugates of Antifolates FOLR1, FOLR2, DHFR TP53 2848/4885POLB 2418/4885NPC1 904/4885
US-20100004276-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VDR, CYP2R1, CYP24A1 TP53 2314/4885POLB 4259/4885NPC1 1188/4885
US-20120065149-A1 Vitamin receptor binding drug delivery conjugates VDR, CYP2R1, CYP24A1 TP53 2314/4885POLB 4259/4885NPC1 1188/4885
US-20140058063-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VDR, CYP2R1, CYP24A1 TP53 2314/4885POLB 4259/4885NPC1 1188/4885

“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.