SCHEMBL27019601

SCHEMBL27019601

CN1C(=O)C(=O)Cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.47
▸ TTR P02766 2/20 0.47
▸ NOTUM Q6P988 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PABPC1 P11940 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ BCHE P06276 1/20 0.41
▸ CASP3 P42574 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40

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
SCHEMBL14288783 0.81 TTR (0.53) CES1TTRKMT2AALDH1A1MEN1
SCHEMBL7829086 0.81 ALDH1A1 (0.57) CES1TTRNOTUMKMT2AKDM4E
SCHEMBL578262 0.79 NOTUM (0.56) NOTUMKMT2AMEN1HPGDCASP3
SCHEMBL16767079 0.79 NOTUM (0.56) NOTUMKMT2AMEN1HPGDCASP3
SCHEMBL29385722 0.79 NOTUM (0.56) NOTUMKMT2AMEN1HPGDCASP3
SCHEMBL5160711 0.79 MEN1 (0.50) CES1TTRNOTUMKMT2AKDM4E
SCHEMBL10460338 0.79 CYP1A2 (0.58) CES1TTRNOTUMKMT2AKDM4E
SCHEMBL975897 0.78 MAOA (0.52) NOTUMKMT2AKDM4EALDH1A1MEN1
SCHEMBL29351597 0.78 MAOA (0.52) NOTUMKMT2AKDM4EALDH1A1MEN1
SCHEMBL21311772 0.78 CES1 (0.58) CES1TTRNOTUMKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018103-A1 3-HYDROXYOXINDOLE DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2024-01-18 — — 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 (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-20240018103-A1 3-HYDROXYOXINDOLE DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH CES1 1763/4885TTR 4528/4885NOTUM 4464/4885

“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.

Send feedback