SCHEMBL26690866

SCHEMBL26690866

CCCCCCCOc1ccc2cc(-c3noc(CCCNC(=O)O)n3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MITF O75030 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ SPHK2 Q9NRA0 6/20 0.47
▸ ACACB O00763 2/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ SPHK1 Q9NYA1 4/20 0.45
▸ MTNR1A P48039 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ ACACA Q13085 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL26690924 0.92 MITF (0.55) LMNAMAPTL3MBTL1MITFTP53
SCHEMBL26690953 0.85 TSHR (0.47) TSHRLMNAMAPTL3MBTL1HDAC1
SCHEMBL26691054 0.83 SPHK2 (0.50) TSHRLMNAMAPTL3MBTL1SPHK2
Hydrochloric Acid SCHEMBL26691116 0.82 SPHK2 (0.52) TSHRLMNAMAPTL3MBTL1SPHK2
SCHEMBL26691005 0.81 SPHK1 (0.59) MAPTL3MBTL1SPHK2HDAC1SPHK1
SCHEMBL29496342 0.80 ACACB (0.49) L3MBTL1MITFTP53NCOA3ACACB
SCHEMBL26690956 0.80 S1PR2 (0.53) MAPTL3MBTL1HDAC1SPHK1HPGD
SCHEMBL26691057 0.79 TSHR (0.52) TSHRL3MBTL1SPHK2HDAC1SPHK1
SCHEMBL13926724 0.78 ACACB (0.65) TSHRLMNAMAPTL3MBTL1MITF
SCHEMBL26691022 0.77 MAPT (0.51) LMNAMAPTTP53HDAC1HPGD

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-20230373937-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2023-11-23 — — 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-20230373937-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY SPNS2, SPCS2, SMN1; SMN2 TSHR 3520/4885LMNA 2689/4885MAPT 26/4885

“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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