SCHEMBL25856644

SCHEMBL25856644

Cc1ccccc1-c1noc(-c2ccc3c(c2)ncn3C(C)C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NR1H4 Q96RI1 3/20 0.49
TP53 P04637 2/20 0.49
GAA P10253 2/20 0.49
MAPK1 P28482 1/20 0.49
S1PR1 P21453 6/20 0.47
S1PR5 Q9H228 1/20 0.45

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
SCHEMBL23558440 0.88 CASP3 (0.48) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL30355400 0.86 SMN1; SMN2 (0.60) NPC1SMN1; SMN2RAB9ANPSR1HSD17B10
SCHEMBL23524244 0.86 SMN1; SMN2 (0.60) NPC1SMN1; SMN2RAB9ANPSR1HSD17B10
SCHEMBL25856984 0.83 NPC1 (0.54) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL25856927 0.82 PKM (0.56) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL25856639 0.81 HCAR3 (0.44) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL23524293 0.80 NPC1 (0.51) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL30355631 0.80 NPC1 (0.51) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL25856926 0.79 ENPP3 (0.47) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL23524055 0.78 NPC1 (0.48) NPC1SMN1; SMN2RAB9AMAPTMEN1

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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 NPC1 301/4885SMN1; SMN2 1320/4885RAB9A 3056/4885

“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.