SCHEMBL25856394

SCHEMBL25856394

Cc1cccc(-c2nc(-c3ccc4c(ccn4C(C)C)c3)no2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
RAB9A P51151 9/20 0.56
NPC1 O15118 9/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
TP53 P04637 5/20 0.56
HSD17B10 Q99714 4/20 0.56
KDM4E B2RXH2 4/20 0.56
TSHR P16473 2/20 0.56
GAA P10253 1/20 0.54
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
GRM5 P41594 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46

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
SCHEMBL25856395 0.88 NPC1 (0.51) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL23524234 0.87 TP53 (0.53) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL15971047 0.85 MAPT (0.43) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL30355747 0.85 NPC1 (0.60) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL23524439 0.85 NPC1 (0.60) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL15971230 0.84 S1PR1 (0.56) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL30355521 0.82 NPC1 (0.57) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL23523941 0.82 NPC1 (0.57) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL23523934 0.81 NPC1 (0.52) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL23523929 0.81 NPC1 (0.53) MAPTRAB9ANPC1SMN1; SMN2TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
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 (2 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 MAPT 3799/4885RAB9A 3056/4885NPC1 301/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 MAPT 3799/4885RAB9A 3056/4885NPC1 301/4885

“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.