SCHEMBL17313697

SCHEMBL17313697

COc1ccccc1N1CCN(CC(O)COc2ccccc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.78
CACNA1G O43497 1/20 0.78
MAPT P10636 7/20 0.77
ALDH1A1 P00352 3/20 0.77
LMNA P02545 8/20 0.72
MAPK1 P28482 4/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
TDP1 Q9NUW8 2/20 0.72
KDM4E B2RXH2 2/20 0.72
HIF1A Q16665 2/20 0.72
NR1I2 O75469 1/20 0.72
NR3C1 P04150 1/20 0.72
ADRB1 P08588 1/20 0.72
HTR1A P08908 1/20 0.72
ADRA2A P08913 1/20 0.72
DRD2 P14416 1/20 0.72
ADRA2B P18089 1/20 0.72
ADRA2C P18825 1/20 0.72
DRD1 P21728 1/20 0.72

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
SCHEMBL11817687 0.92 CACNA1G (0.80) KCNH2CACNA1GMAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL11813716 0.91 CACNA1G (0.79) KCNH2CACNA1GMAPTALDH1A1LMNA
SCHEMBL21792814 0.89 MAPT (0.73) KCNH2CACNA1GMAPTALDH1A1LMNA
SCHEMBL30001178 0.89 MAPT (0.73) KCNH2CACNA1GMAPTALDH1A1LMNA
Enciprazine SCHEMBL29710915 0.89 MAPT (0.74) KCNH2CACNA1GMAPTALDH1A1LMNA
Enciprazine SCHEMBL584730 0.89 MAPT (0.74) KCNH2CACNA1GMAPTALDH1A1LMNA
SCHEMBL29074454 0.89 MAPT (0.71) KCNH2CACNA1GMAPTALDH1A1LMNA
SCHEMBL10485647 0.88 HTR1A (0.67) KCNH2CACNA1GMAPTALDH1A1LMNA
Enciprazine SCHEMBL668369 0.88 MAPT (0.76) KCNH2CACNA1GMAPTALDH1A1LMNA
SCHEMBL17313690 0.88 MAPT (0.74) KCNH2CACNA1GMAPTALDH1A1LMNA

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
US-9272980-B2 Anticancer agent KTN BIOTEC, INC. (JP) 2016-03-01 US disclosed
US-9272980-B2 Anticancer agent KTN BIOTEC, INC. (JP) 2016-03-01 US disclosed
US-9272980-B2 Anticancer agent KTN BIOTEC, INC. (JP) 2016-03-01 US disclosed
US-20150353473-A1 NOVEL ANTICANCER AGENT NISHIZAKI BIOINFORMATION RESEARCH INSTITUTE (JP) 2015-12-10 US disclosed
US-20150353473-A1 NOVEL ANTICANCER AGENT NISHIZAKI BIOINFORMATION RESEARCH INSTITUTE (JP) 2015-12-10 US disclosed
US-20150353473-A1 NOVEL ANTICANCER AGENT NISHIZAKI BIOINFORMATION RESEARCH INSTITUTE (JP) 2015-12-10 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-20150353473-A1 NOVEL ANTICANCER AGENT MKI67, NAP1L1, NOLC1 KCNH2 3871/4885CACNA1G 2731/4885MAPT 4728/4885

“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.