SCHEMBL26553938

SCHEMBL26553938

CCCCCCCCCCc1ccc(C(=O)NCCN)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 2/20 0.57
▸ THRB P10828 2/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ PLK1 P53350 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ SPHK2 Q9NRA0 2/20 0.55
▸ SPHK1 Q9NYA1 2/20 0.55
▸ NAAA Q02083 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ TRPV1 Q8NER1 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ MAOB P27338 1/20 0.54
▸ RARB P10826 4/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ RARA P10276 1/20 0.54
▸ MAPT P10636 1/20 0.54

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
Hydrochloric Acid SCHEMBL25401552 0.99 SPHK1 (0.56) THRATHRBL3MBTL1PLK1HTR2A
SCHEMBL26553937 0.93 L3MBTL1 (0.60) THRATHRBL3MBTL1PLK1HTR2A
Hydrochloric Acid SCHEMBL25401659 0.92 L3MBTL1 (0.58) THRATHRBL3MBTL1PLK1HTR2A
SCHEMBL28562555 0.91 THRA (0.64) THRATHRBL3MBTL1PLK1NAAA
SCHEMBL9491031 0.89 L3MBTL1 (0.71) THRATHRBL3MBTL1PLK1NAAA
SCHEMBL15174013 0.87 THRA (0.59) THRATHRBL3MBTL1PLK1NAAA
SCHEMBL9784422 0.86 L3MBTL1 (0.71) THRATHRBL3MBTL1PLK1NAAA
SCHEMBL28610658 0.85 THRA (0.61) THRATHRBL3MBTL1PLK1NAAA
SCHEMBL25399784 0.85 L3MBTL1 (0.61) THRATHRBL3MBTL1PLK1NAAA
SCHEMBL27284919 0.85 L3MBTL1 (0.61) THRATHRBL3MBTL1PLK1NAAA

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-20230331683-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2023-10-19 — — 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-20230331683-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY SPNS2, SPCS2, SMN1; SMN2 THRA 4682/4885THRB 2758/4885L3MBTL1 4246/4885

“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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