SCHEMBL22504996

SCHEMBL22504996

CC(Br)c1oc(=O)c2ccccc2c1-c1cccc(C(C)N(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 15/20 0.52
▸ BCHE P06276 13/20 0.52
▸ TP53 P04637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PBK Q96KB5 1/20 0.35
▸ FAAH O00519 1/20 0.34

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
SCHEMBL29641609 1.00 ACHE (0.52) ACHEBCHETP53ALDH1A1LMNA
SCHEMBL22498062 0.88 ACHE (0.52) ACHEBCHETP53ALDH1A1LMNA
SCHEMBL30679717 0.88 ACHE (0.52) ACHEBCHETP53ALDH1A1LMNA
SCHEMBL16783417 0.83 CYP1A1 (0.43) ACHEBCHETP53ALDH1A1LMNA
SCHEMBL16783391 0.81 ALDH1A1 (0.41) TP53ALDH1A1LMNASMN1; SMN2
SCHEMBL16783440 0.80 ALDH1A1 (0.43) TP53ALDH1A1LMNASMN1; SMN2
SCHEMBL16783447 0.80 GABRP (0.43) ALDH1A1LMNASMN1; SMN2
SCHEMBL22504987 0.80 ALDH1A1 (0.44) ACHEBCHETP53ALDH1A1LMNA
SCHEMBL29641495 0.80 ALDH1A1 (0.44) ACHEBCHETP53ALDH1A1LMNA
SCHEMBL16783476 0.74 HPGD (0.32) TP53ALDH1A1SMN1; SMN2

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-3947384-B1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2023-11-01 — — EP disclosed
US-20220175784-A1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-06-09 — — US disclosed
WO-2020200918-A1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-10-08 — — 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-20220175784-A1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS PIKFYVE, PDPK1, PIK3R5 ACHE 1598/4885BCHE 855/4885TP53 1320/4885

“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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