SCHEMBL24317048

SCHEMBL24317048

O=[N+]([O-])c1ncc(F)cc1OCF

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 9/20 0.39
HSPB1 P04792 1/20 0.35
NPC1 O15118 5/20 0.34
RAB9A P51151 4/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL29538950 1.00 S1PR4 (0.39) S1PR4HSPB1NPC1RAB9AALDH1A1
SCHEMBL5582989 0.85 S1PR4 (0.41) S1PR4HSPB1NPC1RAB9AALDH1A1
SCHEMBL30271367 0.79 S1PR4 (0.36) S1PR4HSPB1NPC1RAB9AALDH1A1
SCHEMBL3024826 0.74 ATM (0.44) S1PR4HSPB1ALDH1A1KDM4EMAPT
SCHEMBL3770753 0.72 MAPT (0.45) S1PR4HSPB1ALDH1A1MAPTLMNA
SCHEMBL5582938 0.72 MAPK1 (0.36) HSPB1NPC1RAB9AALDH1A1KDM4E
SCHEMBL28874590 0.72 PDE7A (0.37) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL2383985 0.72 MAPT (0.34) S1PR4HSPB1ALDH1A1KDM4EMAPT
SCHEMBL823564 0.72 MEN1 (0.34) S1PR4HSPB1KDM4EMAPTLMNA
SCHEMBL27848440 0.72 MAPT (0.34) S1PR4HSPB1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092774-A1 HETEROAROMATIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2024-03-21 US disclosed
WO-2022057895-A1 HETEROAROMATIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2022-03-24 WO 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-20240092774-A1 HETEROAROMATIC COMPOUNDS AND USES THEREOF CYP2D6, CYP3A7, CYP2F1 S1PR4 4372/4885HSPB1 3298/4885NPC1 283/4885

“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.