SCHEMBL8738577

SCHEMBL8738577

O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.73
PARP10 Q53GL7 1/20 0.73
SLC6A7 Q99884 2/20 0.71
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
POLB P06746 2/20 0.70
MAPT P10636 4/20 0.67
HTT P42858 3/20 0.67
CRHBP P24387 1/20 0.67
CRHR2 Q13324 1/20 0.67
TSHR P16473 5/20 0.66
ALDH1A1 P00352 5/20 0.66
LMNA P02545 4/20 0.66
HSD17B10 Q99714 2/20 0.66
TP53 P04637 1/20 0.66
USP2 O75604 3/20 0.63
MAPK1 P28482 1/20 0.63
CYP3A4 P08684 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
GAA P10253 1/20 0.62

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
SCHEMBL16151037 0.94 MAPT (0.70) PARP14PARP10SLC6A7MEN1KMT2A
SCHEMBL10721777 0.89 MEN1 (0.87) SLC6A7MEN1KMT2APOLBMAPT
SCHEMBL8595777 0.85 POLB (0.87) SLC6A7MEN1KMT2APOLBMAPT
SCHEMBL8161635 0.83 SLC6A7 (1.00) SLC6A7MEN1KMT2APOLBMAPT
SCHEMBL21274584 0.82 TRPC6 (0.65) PARP14PARP10SLC6A7MEN1KMT2A
SCHEMBL29752622 0.82 TRPC6 (0.65) PARP14PARP10SLC6A7MEN1KMT2A
SCHEMBL26458620 0.82 SLC6A7 (0.63) PARP14PARP10SLC6A7MEN1KMT2A
SCHEMBL21240918 0.82 SLC6A7 (0.63) PARP14PARP10SLC6A7MEN1KMT2A
SCHEMBL8844981 0.82 ALOX15 (0.72) PARP14PARP10MEN1KMT2AMAPT
SCHEMBL1711050 0.81 MEN1 (0.74) SLC6A7MEN1KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310379-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-11-21 US disclosed
WO-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 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-20130310379-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 PARP14 468/4885PARP10 458/4885SLC6A7 4331/4885

“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.