SCHEMBL23965801

SCHEMBL23965801

C[C@H]1CCN(c2nc3ccccc3s2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.56
NPC1 O15118 11/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
POLB P06746 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TP53 P04637 2/20 0.53
MAPT P10636 2/20 0.53
MITF O75030 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL27645217 0.91 RAB9A (0.63) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL18231175 0.88 RAB9A (0.58) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL22657660 0.82 RAB9A (0.56) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL9030935 0.82 NPC1 (0.56) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL23965806 0.82 RAB9A (0.52) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL23965836 0.82 SCD (0.54) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL23965745 0.81 SMN1; SMN2 (0.60) RAB9ANPC1SMN1; SMN2POLBCYP2D6
SCHEMBL1109089 0.81 RAB9A (0.64) RAB9ANPC1SMN1; SMN2CYP2D6CYP2C9
SCHEMBL4585194 0.80 RAB9A (0.54) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL5243401 0.79 RAB9A (0.63) 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.