SCHEMBL25003236

SCHEMBL25003236

CC(C)(C)c1c[nH]c(=O)c2ccc(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.42
ALDH1A1 P00352 2/20 0.42
DAO P14920 2/20 0.40
CHEK1 O14757 3/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
NR4A2 P43354 2/20 0.35
SIRT1 Q96EB6 1/20 0.35

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
SCHEMBL25003400 0.93 PARP1 (0.45) PARP1ALDH1A1DAOCHEK1LMNA
SCHEMBL25003188 0.80 PARP1 (0.42) PARP1ALDH1A1DAOCHEK1LMNA
SCHEMBL25003205 0.78 PARP15 (0.44) ALDH1A1LMNASMN1; SMN2POLBCYP1A2
SCHEMBL12293299 0.77 GPR84 (0.53) POLBDUSP3PTPN5PTPN11F7
SCHEMBL17591360 0.77 GPR84 (0.53) ALDH1A1DAOLMNATP53SMN1; SMN2
SCHEMBL13239799 0.77 PARP1 (0.50) PARP1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL26262804 0.75 PARP1 (0.44) PARP1ALDH1A1DAOCHEK1LMNA
SCHEMBL22094461 0.74 PARP1 (0.46) PARP1ALDH1A1DAOCHEK1LMNA
SCHEMBL31308846 0.74 PARP1 (0.46) PARP1ALDH1A1DAOCHEK1LMNA
SCHEMBL25003434 0.74 CFTR (0.33) ALDH1A1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-02-09 US 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 (2 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-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF PARP1 1928/4885ALDH1A1 3732/4885DAO 173/4885
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, HMBS, AHCY PARP1 2296/4885ALDH1A1 2620/4885DAO 690/4885

“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.