SCHEMBL23965803

SCHEMBL23965803

CN1CCCN(c2nc3ccccc3s2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.63
NPC1 O15118 11/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
POLB P06746 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
TSHR P16473 3/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 2/20 0.56
PPARG P37231 1/20 0.56
NCOA2 Q15596 1/20 0.56
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL6125228 0.94 RAB9A (0.70) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL8526236 0.86 RAB9A (0.73) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL11783793 0.84 RAB9A (0.71) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL7217567 0.84 RAB9A (0.71) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL21638220 0.81 RAB9A (0.64) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL23269717 0.81 NPC1 (0.75) RAB9ANPC1SMN1; SMN2POLBNPSR1
SCHEMBL30582902 0.79 RAB9A (0.63) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL13902467 0.78 RAB9A (0.67) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL1713549 0.78 RAB9A (0.71) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL3549560 0.78 RAB9A (0.61) RAB9ANPC1SMN1; SMN2POLBCYP1A2

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 2878/4885NPC1 1739/4885SMN1; SMN2 4557/4885

“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.