SCHEMBL20079326

SCHEMBL20079326

COc1cc(OC)n2nc(C(C)(C)C)nc2n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL19756384 0.79 CXCR2 (0.37) ALDH1A1KDM4EL3MBTL1
SCHEMBL2984728 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1CYP1A2KMT2A
SCHEMBL8107102 0.71 LMNA (0.40) ALDH1A1MEN1CYP1A2KMT2A
SCHEMBL9592932 0.71 CA12 (0.43) ALDH1A1MEN1CYP1A2KMT2A
Hydrochloric Acid SCHEMBL4392041 0.71 L3MBTL1 (0.33) ALDH1A1L3MBTL1MEN1CYP1A2KMT2A
SCHEMBL19194448 0.70 DHODH (0.50) ALDH1A1KMT2A
SCHEMBL22406948 0.70 SMN1; SMN2 (0.34) ALDH1A1KDM4EMEN1CYP1A2KMT2A
SCHEMBL2627833 0.68 LMNA (0.45) ALDH1A1KDM4EL3MBTL1CYP1A2
SCHEMBL1758568 0.67 L3MBTL1 (0.34) ALDH1A1KDM4EL3MBTL1MEN1CYP1A2
SCHEMBL15043749 0.66 RECQL (0.58) ALDH1A1KDM4ECYP1A2KMT2A

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-10221128-B2 Intermediate of preparing high-purity sulfonamide compound ORIENTAL (LUZHOU) AGROCHEMICALS. CO., LTD. (CN) 2019-03-05 US disclosed
US-20180201574-A1 INTERMEDIATE OF PREPARING HIGH-PURITY SULFONAMIDE COMPOUND ORIENTAL (LUZHOU) AGROCHEMICALS. CO., LTD. (CN) 2018-07-19 US disclosed
US-9950997-B2 Method for preparing high-purity sulfonamide compound, and intermediate of sulfonamide compound ORIENTAL LUZHOU AGROCHEMICALS CO LTD (CN) 2018-04-24 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-10221128-B2 Intermediate of preparing high-purity sulfonamide compound STS, SULT1A1, SULT2A1 ALDH1A1 468/4885KDM4E 2823/4885L3MBTL1 4885/4885
US-20180201574-A1 INTERMEDIATE OF PREPARING HIGH-PURITY SULFONAMIDE COMPOUND STS, SULT1A1, SULT2A1 ALDH1A1 468/4885KDM4E 2823/4885L3MBTL1 4885/4885

“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.