SCHEMBL29445043

SCHEMBL29445043

COc1ccc2c(c1)c1cc3cnccc3c(C)c1n2CCCN1CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ STAT6 P42226 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ MAOA P21397 2/20 0.51
▸ MAOB P27338 2/20 0.51
▸ HASPIN Q8TF76 3/20 0.46
▸ DYRK2 Q92630 1/20 0.46
▸ CCNE2 O96020 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ PRKACG P22612 1/20 0.42
▸ PRKACB P22694 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CAMK2B Q13554 1/20 0.42

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
SCHEMBL24276977 1.00 TP53 (0.53) TP53CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL29445115 0.87 TP53 (0.50) TP53CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL24277215 0.87 TP53 (0.50) TP53CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL24277265 0.87 WEE1 (0.45) TP53CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL24276927 0.86 TP53 (0.49) TP53CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL29445098 0.84 NISCH (0.39) TP53CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL24277266 0.84 NISCH (0.39) TP53CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL24277021 0.83 HRH3 (0.47) HRH1BCHEACHE
SCHEMBL24276802 0.82 DYRK1A (0.53) TP53CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL24277799 0.82 TP53 (0.53) TP53CYP1A2CYP3A4CYP2D6ALOX15

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
US-20240067639-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS University of Florida Research Foundation, Incorporation (US) 2024-02-29 — — US disclosed
EP-4210703-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS Expansion Therapeutics, Inc. (US) 2023-07-19 — — EP disclosed
WO-2022055922-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS EXPANSION THERAPEUTICS, INC. (US) 2022-03-17 — — 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-20240067639-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS FUS, SNRPE, RRBP1 TP53 820/4885CYP1A2 4875/4885CYP3A4 4815/4885

“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