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
SCHEMBL344528 0.82 ALDH1A1 (0.65) KDM4EEGLN1ALDH1A1SLC40A1LMNA
SCHEMBL644794 0.82 ALDH1A1 (0.68) KDM4EEGLN1ALDH1A1LMNASMN1; SMN2
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.

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