SCHEMBL24476493

SCHEMBL24476493

CNC(=O)CCCCCCCCCCCCCCCn1c(C)nc2c(Cl)nc(Cl)nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.48
▸ HDAC1 Q13547 11/20 0.39
▸ HDAC6 Q9UBN7 8/20 0.39
▸ HDAC2 Q92769 7/20 0.39
▸ HDAC8 Q9BY41 6/20 0.39
▸ HDAC3 O15379 4/20 0.39
▸ HDAC4 P56524 3/20 0.39
▸ HDAC7 Q8WUI4 3/20 0.39
▸ HDAC10 Q969S8 3/20 0.39
▸ HDAC11 Q96DB2 3/20 0.39
▸ HDAC9 Q9UKV0 3/20 0.39
▸ HDAC5 Q9UQL6 3/20 0.39
▸ CSNK2A2 P19784 2/20 0.35
▸ CSNK2B P67870 2/20 0.35
▸ CSNK2A1 P68400 2/20 0.35
▸ CSNK2A3 Q8NEV1 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ JAK2 O60674 2/20 0.31

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
SCHEMBL24476284 0.85 KAT2B (0.40) FAAHHDAC1HDAC6HDAC2HDAC8
SCHEMBL24476300 0.81 FAAH (0.48) FAAHHDAC1HDAC6HDAC2HDAC8
SCHEMBL24476317 0.80 TSHR (0.36) CSNK2A2CSNK2BCSNK2A1CSNK2A3TSHR
SCHEMBL24476536 0.73 KAT2B (0.40) FAAHHDAC1HDAC6HDAC2HDAC8
SCHEMBL24476531 0.71 — —
SCHEMBL24476652 0.70 FAAH (0.43) FAAHHDAC1HDAC6HDAC2HDAC8
SCHEMBL24476587 0.70 CSNK2A1 (0.32) CSNK2A1
SCHEMBL24476545 0.66 FAAH (0.36) FAAHCSNK2A2CSNK2A1PNPTBXAS1
SCHEMBL24476383 0.66 KAT2B (0.40) FAAHHDAC1HDAC6CSNK2A2CSNK2B
SCHEMBL31625100 0.65 KDM4E (0.38) JAK2

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-20220168309-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE INVOX PHARMA LIMITED (GB) 2022-06-02 — — US disclosed
CN-113645977-A Compounds, compositions and methods for treatment of disease F-星治疗公司 2021-11-12 — — CN 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-20220168309-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE STING1, CGAS, MAVS FAAH 3326/4885HDAC1 3393/4885HDAC6 1939/4885

“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