SCHEMBL3491024

SCHEMBL3491024

CC1CN(c2ccc3c(c2)OCO3)CC[N]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.43
BRD9 Q9H8M2 3/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SHMT2 P34897 1/20 0.39
BRD7 Q9NPI1 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NOTUM Q6P988 1/20 0.38
MAPK9 P45984 2/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
SCD5 Q86SK9 1/20 0.38

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
SCHEMBL2200620 0.77 CMA1 (0.51) CMA1BRD9ALDH1A1MAPTPOLB
SCHEMBL2248371 0.75 MAPT (0.46) CMA1BRD9ALDH1A1MAPTPOLB
SCHEMBL5271800 0.75 MAPT (0.46) CMA1BRD9ALDH1A1MAPTPOLB
SCHEMBL5237697 0.72 NOTUM (0.50) ALDH1A1MAPTNOTUM
SCHEMBL24434520 0.71 CMA1 (0.56) CMA1ALDH1A1MAPTPOLBHSD17B10
SCHEMBL13727501 0.70 NPC1 (0.59) CMA1BRD9ALDH1A1MAPTHSD17B10
SCHEMBL11696465 0.70 CMA1 (0.55) CMA1ALDH1A1MAPTPOLBHSD17B10
SCHEMBL11129636 0.70 CMA1 (0.51) CMA1BRD9ALDH1A1MAPTPOLB
SCHEMBL19500868 0.68 MAPT (0.59) CMA1ALDH1A1MAPTPOLBHSD17B10
SCHEMBL17304816 0.68 CMA1 (0.49) CMA1BRD9ALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093716-A1 THERAPEUTIC METHODS USING WRN BINDING MOLECULES TRUSTEES OF BOSTON UNIVERSITY AND PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-04-15 US disclosed
EP-2061797-A1 THERAPEUTIC METHODS USING WRN BINDING MOLECULES TRUSTEES OF BOSTON UNIVERSITY (US) 2009-05-27 EP disclosed
WO-2008027990-A1 THERAPEUTIC METHODS USING WRN BINDING MOLECULES TRUSTEES OF BOSTON UNIVERSITY (US) 2008-03-06 WO 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 (1 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-20100093716-A1 THERAPEUTIC METHODS USING WRN BINDING MOLECULES WRN, BLM, RECQL CMA1 4334/4885BRD9 2040/4885ALDH1A1 3158/4885

“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.