SCHEMBL2327211

SCHEMBL2327211

COc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Cl)c1OCC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 4/20 0.44
KDM1A O60341 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 2/20 0.42
MITF O75030 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL13310961 0.85 KMT2A (0.46) KMT2AALDH1A1L3MBTL1LMNAGAA
Hydrochloric Acid SCHEMBL2332778 0.83 KMT2A (0.62) KMT2AALDH1A1L3MBTL1LMNAGAA
SCHEMBL14210319 0.81 KMT2A (0.43) KMT2AALDH1A1L3MBTL1LMNAGAA
SCHEMBL2334286 0.81 KMT2A (0.47) KMT2AALDH1A1L3MBTL1LMNAGAA
Hydrochloric Acid SCHEMBL2330352 0.81 KMT2A (0.69) KMT2AALDH1A1L3MBTL1LMNAGAA
Hydrochloric Acid SCHEMBL2330965 0.80 KMT2A (0.71) KMT2AALDH1A1L3MBTL1LMNAGAA
SCHEMBL13310957 0.80 ALDH1A1 (0.55) KMT2AALDH1A1L3MBTL1LMNAGAA
SCHEMBL13347784 0.77 KMT2A (0.42) KMT2AALDH1A1L3MBTL1LMNAGAA
SCHEMBL12445241 0.76 ALDH1A1 (0.50) KMT2AALDH1A1L3MBTL1LMNAGAA
SCHEMBL13310979 0.75 KMT2A (0.63) KMT2AALDH1A1L3MBTL1LMNAGAA

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 10 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-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-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-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
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

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 KMT2A 2921/4885ALDH1A1 3360/4885L3MBTL1 348/4885
US-20100158798-A1 FP-Pocket-Binding Effectors and Methods for Using the Same to Modulate Telomerase Activity TERF2IP, TERF2, TERT KMT2A 2483/4885ALDH1A1 4190/4885L3MBTL1 255/4885
US-20160067257-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY TERT, TERB1, TERF2 KMT2A 2921/4885ALDH1A1 3360/4885L3MBTL1 348/4885

“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.