SCHEMBL25856395

SCHEMBL25856395

Cc1ccc(-c2nc(-c3ccc4c(ccn4C(C)C)c3)no2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.51
RAB9A P51151 9/20 0.51
NFKB1 P19838 5/20 0.51
NFKB2 Q00653 5/20 0.51
RELA Q04206 5/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NR1H4 Q96RI1 1/20 0.50
SMN1; SMN2 Q16637 8/20 0.48
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 5/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 4/20 0.43
MAPK1 P28482 2/20 0.43
PKM P14618 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HTT P42858 1/20 0.42
S1PR1 P21453 2/20 0.42

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
SCHEMBL30355414 0.88 NPC1 (0.52) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL23523929 0.88 NPC1 (0.53) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL23523934 0.88 NPC1 (0.52) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL25856394 0.88 MAPT (0.56) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL23523753 0.86 RAB9A (0.54) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL30355692 0.86 RAB9A (0.54) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL23524328 0.83 NPC1 (0.49) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL30355372 0.83 NPC1 (0.49) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL23524234 0.82 TP53 (0.53) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL23523941 0.82 NPC1 (0.57) NPC1RAB9ANFKB1NFKB2RELA

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 NPC1 301/4885RAB9A 3056/4885NFKB1 2406/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 NPC1 301/4885RAB9A 3056/4885NFKB1 2406/4885

“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.