SCHEMBL2333728

SCHEMBL2333728

COc1cc(CNCc2cccs2)cc(Cl)c1OCC(N)=O

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.70
CYP2D6 P10635 4/20 0.70
CYP2C19 P33261 4/20 0.70
MAPT P10636 2/20 0.70
CYP3A4 P08684 3/20 0.57
CYP2C9 P11712 2/20 0.57
L3MBTL1 Q9Y468 3/20 0.55
GAA P10253 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL2325585 0.91 CYP1A2 (0.60) CYP1A2CYP2D6CYP2C19MAPTCYP3A4
SCHEMBL12445704 0.90 CYP1A2 (0.57) CYP1A2CYP2D6CYP2C19MAPTCYP3A4
SCHEMBL2365016 0.88 CYP1A2 (0.72) CYP1A2CYP2D6CYP2C19MAPTCYP3A4
SCHEMBL13310979 0.85 KMT2A (0.63) CYP1A2CYP2D6CYP2C19MAPTCYP3A4
Hydrochloric Acid SCHEMBL2333538 0.84 KMT2A (0.65) CYP1A2CYP2D6CYP2C19MAPTCYP3A4
SCHEMBL13310937 0.83 SMN1; SMN2 (0.70) CYP1A2CYP2D6CYP2C19MAPTCYP3A4
SCHEMBL13310957 0.79 ALDH1A1 (0.55) MAPTL3MBTL1GAAKMT2AALDH1A1
SCHEMBL2333441 0.78 S1PR2 (0.61) CYP2D6CYP2C19MAPTCYP3A4CYP2C9
SCHEMBL2331661 0.78 POLB (0.58) CYP2D6CYP2C19MAPTCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL2332440 0.77 ALDH1A1 (0.54) CYP1A2CYP2D6CYP2C19MAPTCYP3A4

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 16 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-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-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
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
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 CYP1A2 4022/4885CYP2D6 3597/4885CYP2C19 4249/4885
US-20100158798-A1 FP-Pocket-Binding Effectors and Methods for Using the Same to Modulate Telomerase Activity TERF2IP, TERF2, TERT CYP1A2 4657/4885CYP2D6 4677/4885CYP2C19 4788/4885
US-20160067257-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY TERT, TERB1, TERF2 CYP1A2 4022/4885CYP2D6 3597/4885CYP2C19 4249/4885

“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.