SCHEMBL6517751

SCHEMBL6517751

CCOC(=O)c1cc2cc(N(CC)CC)ccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 3/20 0.68
HPGD P15428 3/20 0.68
RAB9A P51151 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
HSD17B10 Q99714 1/20 0.68
NPC1 O15118 2/20 0.64
LMNA P02545 2/20 0.64
HTT P42858 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
HRH3 Q9Y5N1 1/20 0.64
MMP13 P45452 8/20 0.62
MMP2 P08253 6/20 0.62
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
GLA P06280 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
ATM Q13315 1/20 0.59
MMP14 P50281 4/20 0.58

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
SCHEMBL6176521 0.88 KDM4E (0.64) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1474801 0.88 KDM4E (0.70) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6513838 0.86 KDM4E (0.64) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6513729 0.83 KDM4E (0.58) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6002237 0.82 KDM4E (0.58) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL830789 0.82 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL31058816 0.82 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL30994860 0.81 RAB9A (1.00) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL85706 0.81 RAB9A (1.00) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL829213 0.80 KDM4E (0.76) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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-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 (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 KDM4E 1508/4885ALDH1A1 4597/4885HPGD 4309/4885

“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.