SCHEMBL23631589

SCHEMBL23631589

O=C(O)CNC(=O)Cn1ccc2cc3c(cc21)OCO3

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.47
▸ LMNA P02545 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TFPI2 P48307 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL23631612 0.85 KMT2A (0.51) ALDH1A1LMNAPOLBL3MBTL1TFPI2
SCHEMBL23631569 0.80 NTSR1 (0.48) ALDH1A1LMNAPOLBL3MBTL1TFPI2
SCHEMBL23631573 0.79 CNR1 (0.52) ALDH1A1LMNAPOLBL3MBTL1TSHR
SCHEMBL23631678 0.78 ATM (0.50) ALDH1A1LMNAPOLBL3MBTL1TFPI2
SCHEMBL23631652 0.76 KMO (0.62) ALDH1A1POLBTSHRSMN1; SMN2KDM4E
SCHEMBL23631648 0.75 NTSR1 (0.60) ALDH1A1TSHRKDM4EHTTGLA
SCHEMBL23631602 0.75 KDM4E (0.48) ALDH1A1POLBTSHRSMN1; SMN2KDM4E
SCHEMBL23631670 0.75 KDM4E (0.48) ALDH1A1LMNAPOLBTSHRSMN1; SMN2
SCHEMBL23631659 0.75 KDM4E (0.41) ALDH1A1POLBTSHRSMN1; SMN2KDM4E
SCHEMBL6138108 0.74 KMT2A (0.69) ALDH1A1LMNATSHRMAPK1KDM4E

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 ALDH1A1 744/4885LMNA 4594/4885POLB 1658/4885

“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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