SCHEMBL2331941

SCHEMBL2331941

NCC(O)CNc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.47
MEN1 O00255 7/20 0.47
ALDH1A1 P00352 7/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 8/20 0.46
PKM P14618 4/20 0.46
GAA P10253 1/20 0.46
HTT P42858 2/20 0.46
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.44
MAPK1 P28482 2/20 0.44
RAB9A P51151 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
AURKA O14965 1/20 0.43
PDPK1 O15530 1/20 0.43
JAK2 O60674 1/20 0.43
GMNN O75496 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL9760537 0.81 HTT (0.55) KMT2AALDH1A1LMNAMAPTPKM
Hydrochloric Acid SCHEMBL9759821 0.80 HTT (0.54) KMT2AALDH1A1LMNAMAPTPKM
SCHEMBL10653490 0.79 MEN1 (0.57) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL25341923 0.78 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4846637 0.77 MAPT (0.53) KMT2AMEN1ALDH1A1MAPTHSD17B10
SCHEMBL10442762 0.77 MEN1 (0.52) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL29567126 0.76 KMT2A (0.65) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL5201964 0.76 KMT2A (0.65) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL23675450 0.73 MAPT (0.66) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL3273626 0.73 HSD17B10 (0.60) KMT2AMEN1ALDH1A1LMNAMAPT

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

“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.