SCHEMBL24211829

SCHEMBL24211829

COc1cc(OC)c(OC)cc1CCNNC(=N)N

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HTR2A P28223 8/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ TAAR1 Q96RJ0 4/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HTR2C P28335 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL24212178 0.81 KMT2A (0.61) SMN1; SMN2CYP19A1KMT2ACYP3A4POLB
SCHEMBL24211766 0.80 MTNR1A (0.54) SMN1; SMN2TAAR1KMT2AMAPT
SCHEMBL24211771 0.78 AKR1B1 (0.46) KMT2ACYP3A4POLBATMMAPT
SCHEMBL24211769 0.73 PTGS1 (0.55) SMN1; SMN2KMT2APOLBATMMAPT
SCHEMBL20630756 0.72 HTR2A (0.73) SMN1; SMN2HTR2ACYP19A1TAAR1KMT2A
SCHEMBL24211782 0.71 ALDH1A1 (0.57) CYP19A1KMT2APOLBATMMAPT
SCHEMBL23996020 0.69 CHRM2 (0.59) TAAR1POLB
SCHEMBL1253319 0.68 TAAR1 (0.77) HTR2ACYP19A1TAAR1HTR2C
SCHEMBL29364056 0.68 TAAR1 (0.77) HTR2ACYP19A1TAAR1HTR2C
SCHEMBL10310312 0.67 ADRA1A (0.58) HTR2ATAAR1HTR2CMAPT

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 SMN1; SMN2 4332/4885HTR2A 4198/4885CYP19A1 3511/4885

“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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