SCHEMBL3502575

SCHEMBL3502575

COC(=O)c1ccc2cccnc2c1C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
EGLN1 Q9GZT9 8/20 0.54
ALDH1A1 P00352 5/20 0.52
SLC40A1 Q9NP59 1/20 0.51
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAP2K1 Q02750 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 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
SCHEMBL9983599 0.86 ALDH1A1 (0.49) KDM4EEGLN1ALDH1A1LMNASMN1; SMN2
SCHEMBL244112 0.84 EGLN1 (0.68) KDM4EEGLN1ALDH1A1
SCHEMBL8139304 0.84 KDM4E (0.56) KDM4EEGLN1ALDH1A1SLC40A1LMNA
SCHEMBL12020192 0.83 KDM4E (0.55) KDM4EEGLN1ALDH1A1SLC40A1MAP2K1
SCHEMBL25985620 0.83 KDM4E (0.55) KDM4EEGLN1ALDH1A1SLC40A1MAP2K1
SCHEMBL644794 0.82 ALDH1A1 (0.68) KDM4EEGLN1ALDH1A1LMNASMN1; SMN2
SCHEMBL344528 0.82 ALDH1A1 (0.65) KDM4EEGLN1ALDH1A1SLC40A1LMNA
SCHEMBL13943232 0.82 ALDH1A1 (0.54) KDM4EEGLN1ALDH1A1LMNASMN1; SMN2
SCHEMBL643192 0.80 ALDH1A1 (0.46) KDM4EEGLN1ALDH1A1LMNASMN1; SMN2
SCHEMBL16131034 0.80 SLC40A1 (0.53) KDM4EEGLN1ALDH1A1SLC40A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024130095-A9 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-08-02 WO disclosed
WO-2024130095-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-06-20 WO disclosed
WO-2017160670-A1 M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2017-09-21 WO disclosed
WO-2017160670-A1 M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2017-09-21 WO disclosed
EP-2582241-B1 HETEROCYCLIC FUSED PHENANTHROLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-04-06 EP disclosed
EP-2582241-B1 HETEROCYCLIC FUSED PHENANTHROLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-04-06 EP disclosed
US-8557992-B2 Heterocyclic fused phenanthrolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-8557992-B2 Heterocyclic fused phenanthrolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-8557992-B2 Heterocyclic fused phenanthrolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-20130116272-A1 HETEROCYCLIC FUSED PHENANTHROLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-05-09 US disclosed
US-20130116272-A1 HETEROCYCLIC FUSED PHENANTHROLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-05-09 US disclosed
US-20130116272-A1 HETEROCYCLIC FUSED PHENANTHROLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-05-09 US disclosed
EP-2582241-A1 HETEROCYCLIC FUSED PHENANTHROLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2013-04-24 EP disclosed
WO-2011159553-A1 HETEROCYCLIC FUSED PHENANTHROLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-12-22 WO disclosed
WO-2011159553-A1 HETEROCYCLIC FUSED PHENANTHROLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-12-22 WO disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 EP 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 (2 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-20130116272-A1 HETEROCYCLIC FUSED PHENANTHROLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 KDM4E 1407/4885EGLN1 2688/4885ALDH1A1 2622/4885
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES GPR119, GPR65, HCAR1 KDM4E 2414/4885EGLN1 2231/4885ALDH1A1 1850/4885

“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.