SCHEMBL21719265

SCHEMBL21719265

Cc1nccc(C(C)(C)C)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.33
CYP2A6 P11509 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL22056622 0.81 P2RX7 (0.38) CYP2A6L3MBTL1POLB
SCHEMBL13145644 0.80 CCR4 (0.31) UHRF1
SCHEMBL13145628 0.78 CA2 (0.38) POLBKMT2A
SCHEMBL22796224 0.78 CYP2A6 (0.31) CYP2A6
SCHEMBL10715648 0.77 CYP2A6 (0.35) UHRF1CYP2A6POLB
SCHEMBL21719022 0.77 AAK1 (0.34)
SCHEMBL15889710 0.77 NOS2 (0.39) KMT2A
SCHEMBL3089749 0.77
SCHEMBL2029268 0.76 CYP2A6 (0.34) UHRF1CYP2A6
SCHEMBL30465794 0.76 CYP2A6 (0.34) UHRF1CYP2A6

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
WO-2022089406-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海青煜医药科技有限公司 2022-05-05 WO disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK UHRF1 2137/4885CYP2A6 42/4885L3MBTL1 3199/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK UHRF1 2137/4885CYP2A6 42/4885L3MBTL1 3199/4885

“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.