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SCHEMBL469094

SCHEMBL469094

CC(=O)Nc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(OC(C)=O)c3ccccc43)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.42
▸ ADH1A P07327 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ FLT1 P17948 1/20 0.41
▸ FLT4 P35916 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ ABL2 P42684 1/20 0.41
▸ HDAC2 Q92769 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ PDGFRB P09619 2/20 0.34
▸ PDGFRA P16234 2/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ ESRRA P11474 1/20 0.33
▸ SYK P43405 2/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ MAPT P10636 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
SCHEMBL10111775 1.00 MMP13 (0.42) MMP13ADH1AKITFLT1FLT4
SCHEMBL16946488 0.95 ADH1A (0.41) MMP13ADH1AKITFLT1FLT4
SCHEMBL20787444 0.95 ADH1A (0.41) MMP13ADH1AKITFLT1FLT4
SCHEMBL16946503 0.95 ADH1A (0.41) MMP13ADH1AKITFLT1FLT4
SCHEMBL15047618 0.92 EGFR (0.41) ADH1AKITFLT1FLT4KDR
SCHEMBL15765368 0.92 ADH1A (0.38) MMP13ADH1AKITFLT1FLT4
SCHEMBL435462 0.91 TP53 (0.44) MMP13ADH1AKITFLT1FLT4
SCHEMBL20801790 0.91 ADH1A (0.38) MMP13ADH1AKITFLT1FLT4
SCHEMBL10111958 0.91 TP53 (0.44) MMP13ADH1AKITFLT1FLT4
SCHEMBL468985 0.91 NPC1 (0.39) MMP13ADH1AKITFLT1FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015110935-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER INC. (US) 2015-07-30 — — WO 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

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 MMP13 3314/4885ADH1A 2367/4885KIT 1430/4885
US-20120065149-A1 Vitamin receptor binding drug delivery conjugates VDR, CYP2R1, CYP24A1 MMP13 3314/4885ADH1A 2367/4885KIT 1430/4885

“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.