SCHEMBL23631692

SCHEMBL23631692

O=C(O)CNC(=O)Cn1ccc2cc(-c3ccc4c(c3)CCO4)ccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 5/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ PLA2G10 O15496 1/20 0.42
▸ FABP4 P15090 3/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ ERN1 O75460 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ FAAH O00519 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP11B2 P19099 2/20 0.37
▸ FABP3 P05413 1/20 0.37
▸ FABP5 Q01469 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 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
SCHEMBL23631572 0.92 FFAR1 (0.41) NTSR1FFAR1PLA2G10FABP4DYRK1A
SCHEMBL23631589 0.74 ALDH1A1 (0.47) NPC1RAB9AKDM4ESMN1; SMN2MAPK1
SCHEMBL23631648 0.73 NTSR1 (0.60) NTSR1KDM4EALDH1A1
SCHEMBL23631647 0.72 NTSR1 (0.68) NTSR1
SCHEMBL23631580 0.72 NTSR1 (0.51) NTSR1SMN1; SMN2
SCHEMBL23631656 0.72 NTSR1 (0.46) NTSR1NPC1KDM4EPOLB
SCHEMBL23631632 0.72 NTSR1 (0.67) NTSR1KDM4E
SCHEMBL23631570 0.71 KDM4E (0.52) NTSR1KDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL23631661 0.70 KDM4E (0.46) NTSR1KDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL6138108 0.70 KMT2A (0.69) NTSR1KDM4EMAPK1ALDH1A1

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 NTSR1 2656/4885FFAR1 3401/4885PLA2G10 828/4885

“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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