SCHEMBL6517367

SCHEMBL6517367

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.52
KIT P10721 2/20 0.52
FLT1 P17948 2/20 0.52
KDR P35968 2/20 0.52
ABL2 P42684 2/20 0.52
FLT4 P35916 1/20 0.52
MMP13 P45452 2/20 0.43
HDAC2 Q92769 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
PYGL P06737 1/20 0.38
MAOA P21397 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SYK P43405 2/20 0.35
ITK Q08881 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
SCHEMBL6517373 1.00 ADH1A (0.52) ADH1AKITFLT1KDRABL2
SCHEMBL13800023 0.94 ADH1A (0.47) ADH1AKITFLT1KDRABL2
SCHEMBL436370 0.93 MMP13 (0.46) ADH1AKITFLT1KDRABL2
SCHEMBL6512526 0.92 KDR (0.52) ADH1AKITFLT1KDRABL2
SCHEMBL6512534 0.92 KDR (0.52) ADH1AKITFLT1KDRABL2
SCHEMBL6518872 0.92 ADH1A (0.53) ADH1AKITFLT1KDRABL2
SCHEMBL6518871 0.92 ADH1A (0.53) ADH1AKITFLT1KDRABL2
SCHEMBL6207384 0.92 HDAC2 (0.44) ADH1AKITFLT1KDRABL2
SCHEMBL22363482 0.91 ADH1A (0.44) ADH1AKITFLT1KDRABL2
SCHEMBL13311172 0.90 ADH1A (0.48) 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-10350300-B2 Alkylating agent for alkylating target with driver oncogene mutation CHIBA PREFECTURE (JP) 2019-07-16 US disclosed
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 US disclosed
WO-2004101767-A2 CBI ANALOGUES OF THE DUOCARMYCINS AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2004-11-25 WO 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-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK ADH1A 4729/4885KIT 1086/4885FLT1 4650/4885
US-10350300-B2 Alkylating agent for alkylating target with driver oncogene mutation KRAS, TP53, MYC ADH1A 2873/4885KIT 1584/4885FLT1 1469/4885

“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.