SCHEMBL18156777

SCHEMBL18156777

CCc1nc2ccccc2n1-c1ccc2oc3cc4c(cc3c2c1)-c1ccccc1C41c2ccccc2-c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
BMI1 P35226 3/20 0.34
PDE10A Q9Y233 4/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 3/20 0.32
MAPK1 P28482 3/20 0.32
RECQL P46063 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PSMD14 O00487 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
CHEK1 O14757 1/20 0.32
ATR Q13535 1/20 0.32
PDCD1 Q15116 1/20 0.32

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
SCHEMBL22617646 0.80 KDM4E (0.35) ALDH1A1KDM4EHPGDMEN1MAPT
SCHEMBL18156768 0.79 PSMD14 (0.35) ALDH1A1KDM4EHPGDMEN1MAPT
SCHEMBL18314568 0.78 PSMD14 (0.34) ALDH1A1KDM4EHPGDMEN1MAPT
SCHEMBL17470615 0.77 PDE10A (0.37) ALDH1A1KDM4EHPGDMEN1MAPT
SCHEMBL19315362 0.76 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDMEN1MAPT
SCHEMBL23894908 0.76 PPARG (0.33) PDE10A
SCHEMBL23894921 0.75
SCHEMBL27250599 0.75 PDE10A (0.41) ALDH1A1KDM4EHPGDMEN1MAPT
SCHEMBL18156779 0.75 RECQL (0.38) ALDH1A1MEN1MAPTKMT2APDE10A
SCHEMBL15394561 0.74 PSMD14 (0.41) ALDH1A1KDM4EHPGDMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2023-04-27 US disclosed
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2023-04-27 US disclosed
US-11545634-B2 Heterocyclic spiro compounds MERCK PATENT GMBH (DE) 2023-01-03 US disclosed
EP-3330262-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE CONTAINING SAME LG CHEMICAL LTD (KR) 2021-07-28 EP disclosed
US-10822330-B2 Heterocyclic compound and organic light emitting diode containing same LG CHEM, LTD. (KR) 2020-11-03 US disclosed
EP-3708634-A1 HETEROCYCLIC SPIRO COMPOUNDS Merck Patent GmbH (DE) 2020-09-16 EP disclosed
US-10777750-B2 Heterocyclic spiro compounds BASF SE (DE) 2020-09-15 US disclosed
US-20200266364-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2020-08-20 US disclosed
EP-3083880-B1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2020-04-01 EP disclosed
US-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2016-10-20 US disclosed
US-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2016-10-20 US 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 (6 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-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 ALDH1A1 383/4885KDM4E 4246/4885HPGD 736/4885
US-11545634-B2 Heterocyclic spiro compounds NES, KCNC1, HCN4 ALDH1A1 383/4885KDM4E 4246/4885HPGD 736/4885
US-20200266364-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 ALDH1A1 383/4885KDM4E 4246/4885HPGD 736/4885
US-10822330-B2 Heterocyclic compound and organic light emitting diode containing same CRY1, CRY2, PER2 ALDH1A1 270/4885KDM4E 2233/4885HPGD 1474/4885
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 ALDH1A1 383/4885KDM4E 4246/4885HPGD 736/4885
US-10777750-B2 Heterocyclic spiro compounds NES, KCNC1, HCN4 ALDH1A1 383/4885KDM4E 4246/4885HPGD 736/4885

“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.