SCHEMBL31214543

SCHEMBL31214543

CCSc1nccc(C)c1CCl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 4/20 0.42
▸ NOS3 P29474 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ CCR1 P32246 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL31214394 0.81 NOS2 (0.40) NOS2NOS3ALDH1A1NPC1HPGD
SCHEMBL31214440 0.75 NOS2 (0.35) NOS2NOS3
SCHEMBL7850351 0.74 NOS2 (0.50) NOS2NOS3ALDH1A1SMN1; SMN2NPC1
SCHEMBL5009720 0.72 NOS2 (0.45) NOS2NOS3CCR1CCR5CCR8
SCHEMBL20818537 0.72 NOS2 (0.50) NOS2NOS3CCR1CCR5CCR8
SCHEMBL18753742 0.71 NOS2 (0.34) NOS2NOS3ALDH1A1SMN1; SMN2NPC1
SCHEMBL23857018 0.71 NOS2 (0.44) NOS2NOS3CCR1CCR5CCR8
Hydrochloric Acid SCHEMBL3899633 0.71 NOS2 (0.44) NOS2NOS3CCR1CCR5CCR8
SCHEMBL20752742 0.71 NOS2 (0.44) NOS2NOS3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL30047488 0.71 NOS2 (0.44) NOS2NOS3CCR1CCR5CCR8

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
EP-4688754-A1 KCC2 POTENTIATORS AND USES THEREOF Axonis Therapeutics, Inc. (US) 2026-02-11 — — EP disclosed
US-20260028351-A1 KCC2 POTENTIATORS AND USES THEREOF AXONIS THERAPEUTICS, INC. 2026-01-29 — — US disclosed
WO-2024211744-A1 KCC2 POTENTIATORS AND USES THEREOF AXONIS THERAPEUTICS, INC. (US) 2024-10-10 — — 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-20260028351-A1 KCC2 POTENTIATORS AND USES THEREOF GRIN2C, HCN1, KCNC1 NOS2 3832/4885NOS3 2918/4885ALDH1A1 3779/4885

“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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