SCHEMBL31108591

SCHEMBL31108591

NNC(=O)c1cccc(Oc2c(F)cc3[nH]ccc3c2F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RAB9A P51151 6/20 0.37
▸ SMN1; SMN2 Q16637 5/20 0.37
▸ NPC1 O15118 5/20 0.37
▸ HTT P42858 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ F10 P00742 1/20 0.36
▸ SNCA P37840 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ KAT6A Q92794 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ LOX P28300 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35

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
SCHEMBL29237602 0.83 F10 (0.50) F10
SCHEMBL30217327 0.83 F10 (0.50) F10
SCHEMBL29237404 0.75 RHEB (0.38) —
SCHEMBL30967817 0.75 RHEB (0.38) —
SCHEMBL30967798 0.74 SNCA (0.43) ALDH1A1KDM4EHDAC8RAB9ASMN1; SMN2
SCHEMBL29237678 0.74 SNCA (0.43) ALDH1A1KDM4EHDAC8RAB9ASMN1; SMN2
SCHEMBL29237301 0.74 NPC1 (0.47) ALDH1A1KDM4EHDAC8RAB9ANPC1
SCHEMBL30967902 0.74 NPC1 (0.47) ALDH1A1KDM4EHDAC8RAB9ANPC1
SCHEMBL29336749 0.74 F10 (0.44) F10
SCHEMBL31065875 0.73 PRKAB2 (0.41) —

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-20240279220-A1 INDOLE COMPOUNDS AND METHODS OF USE SIONNA THERAPEUTICS INC. 2024-08-22 — — 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-20240279220-A1 INDOLE COMPOUNDS AND METHODS OF USE CFTR, INMT, IDO1 ALDH1A1 784/4885KDM4E 4001/4885HDAC8 2263/4885

“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