SCHEMBL468985

SCHEMBL468985

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
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
PYGL P06737 5/20 0.36
MMP13 P45452 1/20 0.35
RAB9A P51151 3/20 0.35
KMT2A Q03164 1/20 0.35
HDAC2 Q92769 1/20 0.35
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35
EGFR P00533 3/20 0.35
PIK3CA P42336 3/20 0.35
ESRRA P11474 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL15047618 0.94 EGFR (0.41) NPC1KDM4EMAPTADH1AKIT
SCHEMBL15493863 0.94 ADH1A (0.36) NPC1KDM4EMAPTADH1AKIT
SCHEMBL468987 0.94 ADH1A (0.37) NPC1KDM4EMAPTADH1AKIT
SCHEMBL15765368 0.93 ADH1A (0.38) NPC1KDM4EMAPTADH1AKIT
SCHEMBL435462 0.93 TP53 (0.44) NPC1KDM4EMAPTADH1AKIT
SCHEMBL10111958 0.93 TP53 (0.44) NPC1KDM4EMAPTADH1AKIT
SCHEMBL14586783 0.92 NPC1 (0.40) NPC1KDM4EMAPTADH1AKIT
SCHEMBL20885067 0.92 HDAC2 (0.38) NPC1KDM4EMAPTADH1AKIT
SCHEMBL20787444 0.91 ADH1A (0.41) NPC1KDM4EMAPTADH1AKIT
SCHEMBL16946488 0.91 ADH1A (0.41) NPC1KDM4EMAPTADH1AKIT

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-20120065149-A1 Vitamin receptor binding drug delivery conjugates VLAHOV IONTCHO R (US) 2012-03-15 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 (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 NPC1 1188/4885KDM4E 2700/4885MAPT 2888/4885

“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.