SCHEMBL30355442

SCHEMBL30355442

Cn1cnc2cc(-c3nnc(-c4ccc(NCC(F)F)c(C#N)c4)o3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ CTSC P53634 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ NPC1 O15118 5/20 0.34
▸ RAB9A P51151 5/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ GAA P10253 3/20 0.34
▸ SHMT2 P34897 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ GFER P55789 2/20 0.33
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL23523920 1.00 KDM1A (0.36) KDM1AGSK3BCTSCHDAC6NPC1
SCHEMBL23523775 0.92 GSK3B (0.42) GSK3BHDAC6EGLN2PRMT5WDR77
SCHEMBL30355794 0.92 GSK3B (0.42) GSK3BHDAC6EGLN2PRMT5WDR77
SCHEMBL25857251 0.90 GSK3B (0.35) KDM1AGSK3BCTSCHDAC6NPC1
SCHEMBL23524014 0.87 HDAC1 (0.32) HDAC6EGLN2
SCHEMBL23523918 0.84 S1PR1 (0.35) GSK3BHDAC6NPC1RAB9AKDM4E
SCHEMBL30355800 0.84 S1PR1 (0.35) GSK3BHDAC6NPC1RAB9AKDM4E
SCHEMBL23524413 0.84 LRRK2 (0.37) KDM1AGSK3BCTSCNPC1RAB9A
SCHEMBL30355730 0.84 LRRK2 (0.37) KDM1AGSK3BCTSCNPC1RAB9A
SCHEMBL23523727 0.83 GSK3B (0.33) GSK3BNPC1RAB9AKDM4EGAA

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 KDM1A 1842/4885GSK3B 2521/4885CTSC 674/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 KDM1A 574/4885GSK3B 1281/4885CTSC 1640/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 KDM1A 1842/4885GSK3B 2521/4885CTSC 674/4885

“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.

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