SCHEMBL23631573

SCHEMBL23631573

O=C(O)CNC(=O)Cn1ccc2ccc(-c3cccc4c3OCO4)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.52
▸ NTSR1 P30989 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPK1 P28482 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CASP1 P29466 1/20 0.36

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
SCHEMBL23631589 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL23631570 0.78 KDM4E (0.52) NTSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23631654 0.77 NTSR1 (0.47) NTSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23631700 0.77 KDM4E (0.51) NTSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23631683 0.76 CHEK1 (0.38) NTSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23631572 0.75 FFAR1 (0.41) NTSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23631661 0.74 KDM4E (0.46) NTSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23631593 0.74 KDM4E (0.49) NTSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23631689 0.74 KDM4E (0.45) NTSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23631657 0.74 KDM4E (0.45) NTSR1ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214359-A1 Compounds and Methods for Treating Bacterial Infections UNIV NEW YORK (US) 2021-07-15 — — US claimed
US-20210214359-A1 Compounds and Methods for Treating Bacterial Infections UNIV NEW YORK (US) 2021-07-15 — — US disclosed
US-20210214359-A1 Compounds and Methods for Treating Bacterial Infections UNIV NEW YORK (US) 2021-07-15 — — 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-20210214359-A1 Compounds and Methods for Treating Bacterial Infections CBS, MPO, QSOX1 CNR1 1404/4885NTSR1 2656/4885ALDH1A1 744/4885

“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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