SCHEMBL24065613

SCHEMBL24065613

COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C)C[C@H]3CCl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 1/20 0.40
KIT P10721 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
ABL2 P42684 1/20 0.40
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
FTO Q9C0B1 1/20 0.33
BRD4 O60885 1/20 0.32
XDH P47989 1/20 0.32
CYP1A2 P05177 1/20 0.32
LMNA P02545 1/20 0.31
ULK1 O75385 1/20 0.30

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
SCHEMBL6618798 0.87 ADH1A (0.46) ADH1AKITFLT1FLT4KDR
SCHEMBL6618596 0.87 ADH1A (0.46) ADH1AKITFLT1FLT4KDR
SCHEMBL7945647 0.79 ADH1A (0.45) ADH1AKITFLT1FLT4KDR
SCHEMBL19057483 0.77 P4HB (0.51) ADH1AKITFLT1FLT4KDR
SCHEMBL30852737 0.77 P4HB (0.51) ADH1AKITFLT1FLT4KDR
SCHEMBL18822196 0.77 P4HB (0.51) ADH1AKITFLT1FLT4KDR
SCHEMBL30360049 0.77 P4HB (0.51) ADH1AKITFLT1FLT4KDR
SCHEMBL7952123 0.77 HRH4 (0.44) ADH1AKITFLT1FLT4KDR
SCHEMBL7959056 0.77 KMT2A (0.45) ADH1AKITFLT1FLT4KDR
SCHEMBL7945652 0.77 KDM4E (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210369705-A1 COMBINATION THERAPY UTILIZING DNA ALKYLATING AGENTS AND ATR INHIBITORS MERCK PATENT GMBH (DE) 2021-12-02 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-20210369705-A1 COMBINATION THERAPY UTILIZING DNA ALKYLATING AGENTS AND ATR INHIBITORS ATR, TOP2A, TOP1 ADH1A 3241/4885KIT 2021/4885FLT1 1312/4885

“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.