SCHEMBL23524318

SCHEMBL23524318

COc1ccc2nc(-c3ccc4c(c3)nnn4C(C)C)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.49
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 4/20 0.43
HDAC6 Q9UBN7 1/20 0.43
LMNA P02545 2/20 0.43
CASP3 P42574 1/20 0.43
F2RL3 Q96RI0 3/20 0.42
UTRN P46939 1/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL23523725 0.91 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2TP53HDAC6
SCHEMBL23524096 0.85 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53CASP3
SCHEMBL20587636 0.84 HPGD (0.38) APPNPC1RAB9ASMN1; SMN2TP53
SCHEMBL23524388 0.84 APP (0.47) APPNPC1RAB9ASMN1; SMN2TP53
SCHEMBL23558504 0.82 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL23523969 0.80 HPGD (0.41) NPC1RAB9ASMN1; SMN2TP53CASP3
SCHEMBL20587511 0.79 NPC1 (0.44) NPC1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL19848203 0.79 HCAR3 (0.55) NPC1RAB9ASMN1; SMN2HDAC6LMNA
SCHEMBL1608433 0.79 RAB9A (0.51) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL23524268 0.78 NPC1 (0.43) NPC1RAB9ASMN1; SMN2TP53F2RL3

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 9 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-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-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
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 APP 857/4885NPC1 301/4885RAB9A 3056/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 APP 360/4885NPC1 311/4885RAB9A 2056/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 APP 857/4885NPC1 301/4885RAB9A 3056/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 APP 857/4885NPC1 301/4885RAB9A 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.