SCHEMBL23965751

SCHEMBL23965751

COC1CN(c2nc3ccccc3s2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.54
TSHR P16473 2/20 0.54
ALDH1A1 P00352 1/20 0.54
PPARG P37231 1/20 0.54
NCOA2 Q15596 1/20 0.54
NCOA1 Q15788 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
NPC1 O15118 8/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
POLB P06746 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ACACB O00763 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
PDE10A Q9Y233 3/20 0.51
HCRTR1 O43613 3/20 0.49
HCRTR2 O43614 3/20 0.49
MAPT P10636 2/20 0.48

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
SCHEMBL23965836 0.89 SCD (0.54) RAB9ATSHRALDH1A1PPARGNCOA2
SCHEMBL23965800 0.88 RAB9A (0.54) RAB9ATSHRALDH1A1PPARGNCOA2
SCHEMBL23965833 0.85 SCD (0.59) RAB9ATSHRALDH1A1PPARGNCOA2
SCHEMBL23965809 0.84 RAB9A (0.57) RAB9ATSHRALDH1A1PPARGNCOA2
SCHEMBL23965820 0.84 ACACB (0.55) RAB9ATSHRALDH1A1PPARGNCOA2
SCHEMBL18231175 0.83 RAB9A (0.58) RAB9ATSHRALDH1A1PPARGNCOA2
SCHEMBL23965743 0.82 MAPT (0.53) RAB9ATSHRALDH1A1PPARGNCOA2
SCHEMBL23965808 0.81 RAB9A (0.50) RAB9ATSHRALDH1A1PPARGNCOA2
SCHEMBL21638193 0.80 NPC1 (0.58) RAB9AALDH1A1NPC1SMN1; SMN2CYP1A2
SCHEMBL15222965 0.80 RAB9A (0.58) RAB9ATSHRALDH1A1PPARGNCOA2

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-11161830-B2 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same FUJIFILM CORPORATION (JP) 2021-11-02 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-11161830-B2 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same HAVCR2, HBS1L, PHKB RAB9A 2878/4885TSHR 3112/4885ALDH1A1 2347/4885

“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.