SCHEMBL24211782

SCHEMBL24211782

COc1ccc(CNNC(=N)N)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.57
▸ POLB P06746 4/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ CA2 P00918 1/20 0.52
▸ MRGPRX1 Q96LB2 2/20 0.50
▸ ATM Q13315 2/20 0.50
▸ F2 P00734 1/20 0.50
▸ F10 P00742 1/20 0.50
▸ PRSS1 P07477 1/20 0.50
▸ F7 P08709 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ PPARG P37231 1/20 0.49
▸ PPARD Q03181 1/20 0.49
▸ PPARA Q07869 1/20 0.49
▸ CYP19A1 P11511 1/20 0.47

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
SCHEMBL24211767 0.89 TAAR1 (0.55) ALDH1A1POLBKDM4EGAAMAPT
SCHEMBL1186351 0.85 ALDH1A1 (0.68) ALDH1A1POLBKDM4ECA2ATM
SCHEMBL24212178 0.84 KMT2A (0.61) ALDH1A1POLBKDM4ECA2ATM
SCHEMBL8681333 0.78 ALDH1A1 (0.63) ALDH1A1POLBCA2F2MAPT
SCHEMBL6887289 0.77 CA2 (0.61) ALDH1A1POLBKDM4ECA2ATM
SCHEMBL30454153 0.77 CA2 (0.61) ALDH1A1POLBKDM4ECA2ATM
SCHEMBL29484286 0.76 KDM4E (0.69) ALDH1A1POLBKDM4ECA2ATM
SCHEMBL1599701 0.76 KDM4E (0.69) ALDH1A1POLBKDM4ECA2ATM
SCHEMBL21947972 0.76 MRGPRX1 (0.68) ALDH1A1KDM4EMRGPRX1F2F10
SCHEMBL23996023 0.76 ARG1 (0.49) ALDH1A1KDM4ECA2GAAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220015367-A1 SELF-ASSEMBLED ACTIVE AGENTS METHODS PRODUCTS PBC 2022-01-20 — — 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 (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-20220015367-A1 SELF-ASSEMBLED ACTIVE AGENTS PCNA, POLM, MUS81 ALDH1A1 110/4885POLB 80/4885KDM4E 3334/4885

“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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