SCHEMBL25857014

SCHEMBL25857014

CCCCc1ccc(-c2nnc(-c3ccc4c(c3)C=CC4)o2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPHK2 Q9NRA0 3/20 0.39
▸ MAPT P10636 5/20 0.34
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ THRB P10828 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ TSHR P16473 4/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ S1PR1 P21453 7/20 0.33
▸ ESR1 P03372 2/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ HPGD P15428 3/20 0.31
▸ USP2 O75604 2/20 0.31

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
SCHEMBL25857016 0.85 S1PR1 (0.35) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL25857011 0.84 MAPK14 (0.33) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL25864815 0.71 SNCA (0.39) —
SCHEMBL25857017 0.70 QPCT (0.48) —
SCHEMBL6913089 0.67 SKP2 (0.42) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL25864791 0.66 SNCA (0.40) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL28959882 0.65 RARB (0.47) MAPTALDH1A1TSHRHSD17B10MEN1
SCHEMBL25864792 0.65 SNCA (0.39) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL9629684 0.64 CA1 (0.34) —
SCHEMBL28228730 0.64 TP53 (0.43) SPHK2MAPTSMN1; SMN2NPC1RAB9A

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 1 patent. 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

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

For each of this compound's patents that has machine-readable text (1 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 SPHK2 7/4885MAPT 3799/4885SMN1; SMN2 1320/4885

“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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