SCHEMBL12445224

SCHEMBL12445224

CCOC(=O)c1c(NC(=O)/C=C/C(N)=O)sc(C)c1C

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.71
ALDH1A1 P00352 11/20 0.61
MAPT P10636 7/20 0.61
GAA P10253 3/20 0.60
KDM4E B2RXH2 3/20 0.59
KMT2A Q03164 7/20 0.56
TP53 P04637 3/20 0.56
THRB P10828 4/20 0.55
LMNA P02545 3/20 0.55
HTT P42858 1/20 0.55
MEN1 O00255 5/20 0.54
NPSR1 Q6W5P4 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CASP1 P29466 1/20 0.52

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
SCHEMBL3922155 0.88 ALDH1A1 (0.69) MAPK1ALDH1A1MAPTGAAKDM4E
SCHEMBL3922152 0.88 ALDH1A1 (0.69) MAPK1ALDH1A1MAPTGAAKDM4E
SCHEMBL18542006 0.83 MAPK1 (1.00) MAPK1ALDH1A1MAPTGAAKDM4E
SCHEMBL1622930 0.81 MAPK1 (0.78) MAPK1ALDH1A1MAPTGAAKDM4E
SCHEMBL11356974 0.79 ALDH1A1 (0.75) MAPK1ALDH1A1MAPTGAAKDM4E
SCHEMBL10406531 0.79 KMT2A (0.75) MAPK1ALDH1A1MAPTGAAKDM4E
SCHEMBL10612470 0.76 MAPK1 (0.71) MAPK1ALDH1A1MAPTGAAKDM4E
SCHEMBL3767865 0.73 MAPK1 (0.66) MAPK1ALDH1A1MAPTGAAKDM4E
SCHEMBL10612914 0.73 MAPK1 (0.66) MAPK1ALDH1A1MAPTGAAKDM4E
SCHEMBL34468553 0.72 KDM4E (0.67) MAPK1ALDH1A1MAPTGAAKDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160067257-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY THE WISTAR INSTITUTE (US) 2016-03-10 US disclosed
US-20160067257-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY THE WISTAR INSTITUTE (US) 2016-03-10 US disclosed
US-9234230-B2 Screening method and compounds for modulating telomerase activity THE WISTAR INSTITUTE (US) 2016-01-12 US disclosed
US-9234230-B2 Screening method and compounds for modulating telomerase activity THE WISTAR INSTITUTE (US) 2016-01-12 US disclosed
US-8518940-B2 FP-pocket-binding effectors and methods for using the same to modulate telomerase activity THE WISTAR INSTITUTE (US) 2013-08-27 US disclosed
US-8518940-B2 FP-pocket-binding effectors and methods for using the same to modulate telomerase activity THE WISTAR INSTITUTE (US) 2013-08-27 US disclosed
US-20120309759-A1 Screening Method and Compounds for Modulating Telomerase Activity THE WISTAR INSTITUTE (US) 2012-12-06 US disclosed
US-20120309759-A1 Screening Method and Compounds for Modulating Telomerase Activity THE WISTAR INSTITUTE (US) 2012-12-06 US disclosed
WO-2011097600-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY THE WISTAR INSTITUTE (US) 2011-08-11 WO disclosed
US-20100158798-A1 FP-Pocket-Binding Effectors and Methods for Using the Same to Modulate Telomerase Activity THE WISTAR INSTITUTE 2010-06-24 US disclosed
US-20100158798-A1 FP-Pocket-Binding Effectors and Methods for Using the Same to Modulate Telomerase Activity THE WISTAR INSTITUTE 2010-06-24 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 (3 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-20120309759-A1 Screening Method and Compounds for Modulating Telomerase Activity TERT, TERB1, TERF2 MAPK1 2880/4885ALDH1A1 3360/4885MAPT 2733/4885
US-20100158798-A1 FP-Pocket-Binding Effectors and Methods for Using the Same to Modulate Telomerase Activity TERF2IP, TERF2, TERT MAPK1 3460/4885ALDH1A1 4190/4885MAPT 3047/4885
US-20160067257-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY TERT, TERB1, TERF2 MAPK1 2880/4885ALDH1A1 3360/4885MAPT 2733/4885

“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.