SCHEMBL2591464

SCHEMBL2591464

Oc1ccc2c(O)nccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
CYP1A2 P05177 2/20 0.38
ESR1 P03372 5/20 0.38
ESR2 Q92731 5/20 0.38
ALOX15 P16050 3/20 0.37
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TLR8 Q9NR97 1/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL30758878 1.00 MEN1 (0.44) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL1536380 0.79 CYP1A2 (0.44) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL1096086 0.79 PLAU (0.50) ALDH1A1CASP1HSD17B10KDM4EMAPT
SCHEMBL582273 0.79 PLAU (0.56) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL12336053 0.79 TRPA1 (0.40) MEN1KMT2ACYP1A2KDM4ECYP3A4
SCHEMBL1204965 0.79 ROCK1 (0.58) MEN1KMT2ALMNAPOLBROCK1
SCHEMBL8147969 0.79 NR4A2 (0.43) MEN1KMT2AALDH1A1CASP1CYP1A2
SCHEMBL1204569 0.79 MAPT (0.43) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL1562651 0.79 CYP2A6 (0.53) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL30738206 0.79 MAPT (0.43) MEN1KMT2ALMNAPOLBALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386511-B2 METHODS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-03-20 EP claimed
EP-2106212-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, Inc. (US) 2009-10-07 EP claimed
US-20090030036-A1 Nuclear receptor binding agents GTX, INC. 2009-01-29 US claimed
WO-2008091555-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-07-31 WO claimed
US-9623021-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-04-18 US disclosed
US-9623021-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-04-18 US disclosed
US-9623021-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-04-18 US disclosed
US-9604931-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-03-28 US disclosed
US-9604931-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-03-28 US disclosed
US-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2017-01-19 US disclosed
US-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2017-01-19 US disclosed
US-9078888-B2 Nuclear receptor binding agents GTX, INC. (US) 2015-07-14 US disclosed
WO-2011140228-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2011-11-10 WO disclosed
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2010-10-21 US disclosed
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2010-10-21 US disclosed
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2010-10-21 US disclosed
EP-2106212-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, Inc. (US) 2009-10-07 EP disclosed
US-20090030036-A1 Nuclear receptor binding agents GTX, INC. 2009-01-29 US disclosed
WO-2008091555-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-07-31 WO disclosed
WO-2008091555-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-07-31 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 (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-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS ESRRB, ESRRG, ESRRA MEN1 4759/4885KMT2A 2488/4885LMNA 1686/4885
US-20090030036-A1 Nuclear receptor binding agents NR0B1, NR2E3, NR0B2 MEN1 3769/4885KMT2A 3860/4885LMNA 3493/4885
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP1, FABP4, ADIPOR2 MEN1 3741/4885KMT2A 3575/4885LMNA 2512/4885

“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.