SCHEMBL23524092

SCHEMBL23524092

CC(C)n1nnc2cc(-c3noc(-c4ccccc4F)n3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.53
RAB9A P51151 12/20 0.53
KMT2A Q03164 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 4/20 0.53
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
PKM P14618 2/20 0.51
MAPK1 P28482 1/20 0.51
TP53 P04637 2/20 0.50
MAPT P10636 1/20 0.50
MAOA P21397 1/20 0.47
BLVRB P30043 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
GAA P10253 1/20 0.46
GRM5 P41594 1/20 0.45
HPGD P15428 3/20 0.42
HCAR3 P49019 1/20 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
SCHEMBL30355457 1.00 NPC1 (0.53) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL23523805 0.88 NPC1 (0.46) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL23523971 0.87 BCHE (0.43) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL23524221 0.87 SMN1; SMN2 (0.53) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL30355404 0.87 SMN1; SMN2 (0.53) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL30355655 0.86 S1PR1 (0.42) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL23524243 0.86 S1PR1 (0.42) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL23523907 0.85 NPC1 (0.52) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL23524178 0.85 RAB9A (0.41) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL23523870 0.85 HPGD (0.40) NPC1RAB9AKMT2ASMN1; SMN2MEN1

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 6 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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
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
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. 2023-04-13 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 (4 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 3056/4885KMT2A 2682/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 NPC1 311/4885RAB9A 2056/4885KMT2A 1179/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 NPC1 301/4885RAB9A 3056/4885KMT2A 2682/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 NPC1 301/4885RAB9A 3056/4885KMT2A 2682/4885

“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.