SCHEMBL3470174

SCHEMBL3470174

COc1cc(CNCCN2CCOCC2)cc(Br)c1OCC(N)=O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NPSR1 Q6W5P4 3/20 0.59
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
MAPT P10636 4/20 0.49
MAPK1 P28482 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
GAA P10253 2/20 0.49
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
Hydrochloric Acid SCHEMBL2330762 0.99 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL28295095 0.94 ALDH1A1 (0.77) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL15214215 0.90 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL13310981 0.77 CYP2D6 (0.71) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL3470314 0.74 MEN1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL2330425 0.74 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL2462678 0.74 MAPT (0.68) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL2332426 0.74 MEN1 (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL2365016 0.73 CYP1A2 (0.72) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL3470310 0.71 HSD17B10 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1

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 15 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
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 ALDH1A1 3360/4885MEN1 3807/4885KMT2A 2921/4885
US-20100158798-A1 FP-Pocket-Binding Effectors and Methods for Using the Same to Modulate Telomerase Activity TERF2IP, TERF2, TERT ALDH1A1 4190/4885MEN1 2732/4885KMT2A 2483/4885
US-20160067257-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY TERT, TERB1, TERF2 ALDH1A1 3360/4885MEN1 3807/4885KMT2A 2921/4885

“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.