SCHEMBL6517282

SCHEMBL6517282

O=C(c1cc2ccccc2[nH]1)N1C[C@@H](CCl)c2c1cc(O)c1ccccc21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.61
KIT P10721 2/20 0.61
FLT1 P17948 2/20 0.61
KDR P35968 2/20 0.61
ABL2 P42684 2/20 0.61
FLT4 P35916 1/20 0.61
AKR1C3 P42330 9/20 0.45
HRH4 Q9H3N8 6/20 0.42
HRH3 Q9Y5N1 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FLT3 P36888 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL6517278 1.00 ADH1A (0.61) ADH1AKITFLT1KDRABL2
SCHEMBL6521213 0.92 ADH1A (0.59) ADH1AKITFLT1KDRABL2
SCHEMBL6515510 0.91 KIT (0.58) ADH1AKITFLT1KDRABL2
SCHEMBL6515515 0.91 KIT (0.58) ADH1AKITFLT1KDRABL2
Seco-Cbi-Indole SCHEMBL12596993 0.90 ADH1A (0.51) ADH1AKITFLT1KDRABL2
Seco-Cbi-Indole SCHEMBL29468891 0.90 ADH1A (0.51) ADH1AKITFLT1KDRABL2
SCHEMBL6525144 0.90 ADH1A (0.57) ADH1AKITFLT1KDRABL2
SCHEMBL6525141 0.90 ADH1A (0.57) ADH1AKITFLT1KDRABL2
SCHEMBL6522948 0.89 ADH1A (0.56) ADH1AKITFLT1KDRABL2
SCHEMBL6525118 0.89 ADH1A (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 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-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK ADH1A 4729/4885KIT 1086/4885FLT1 4650/4885

“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.