SCHEMBL23558405

SCHEMBL23558405

Cc1ccc2oc(-c3ccc(NCC(C)C)c(N)c3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.54
SMN1; SMN2 Q16637 11/20 0.54
TP53 P04637 11/20 0.54
KDM4E B2RXH2 10/20 0.54
RAB9A P51151 10/20 0.54
HPGD P15428 10/20 0.54
NPC1 O15118 9/20 0.54
HSD17B10 Q99714 9/20 0.54
MAPT P10636 6/20 0.53
NFKB1 P19838 5/20 0.53
NFKB2 Q00653 5/20 0.53
RELA Q04206 5/20 0.53
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
ALOX5 P09917 1/20 0.49
CASP3 P42574 3/20 0.49
SENP8 Q96LD8 3/20 0.49
SENP7 Q9BQF6 3/20 0.49
SENP6 Q9GZR1 3/20 0.49
POLB P06746 2/20 0.49

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
SCHEMBL25857103 0.86 MAPT (0.46) ALDH1A1SMN1; SMN2TP53KDM4ERAB9A
SCHEMBL25857180 0.81 KDM6B (0.40) ALDH1A1SMN1; SMN2TP53KDM4ERAB9A
SCHEMBL25857105 0.79 APP (0.50) ALDH1A1SMN1; SMN2TP53KDM4ERAB9A
SCHEMBL25857096 0.79 NPC1 (0.42) ALDH1A1SMN1; SMN2TP53KDM4ERAB9A
SCHEMBL25857098 0.79 NPC1 (0.43) ALDH1A1SMN1; SMN2TP53KDM4ERAB9A
SCHEMBL2491813 0.78 RAB9A (0.69) ALDH1A1SMN1; SMN2TP53KDM4ERAB9A
SCHEMBL10219881 0.77 BCHE (0.52) ALDH1A1SMN1; SMN2TP53KDM4ERAB9A
SCHEMBL2242651 0.77 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TP53KDM4ERAB9A
SCHEMBL23558391 0.76 TLR7 (0.37) ALDH1A1SMN1; SMN2TP53KDM4ERAB9A
SCHEMBL25857106 0.76 RAB9A (0.41) ALDH1A1SMN1; SMN2TP53KDM4ERAB9A

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 3 patents. 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
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 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 ALDH1A1 2583/4885SMN1; SMN2 1320/4885TP53 4030/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 ALDH1A1 2583/4885SMN1; SMN2 1320/4885TP53 4030/4885

“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.