SCHEMBL26794064

SCHEMBL26794064

O=C(O)CCCCCN1C(=O)C(Cc2c[nH]c3ccccc23)SC1=S

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ IDO1 P14902 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ RIPK1 Q13546 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ CCKBR P32239 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CCNT1 O60563 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ TACR1 P25103 1/20 0.41
▸ FFAR1 O14842 1/20 0.41

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
SCHEMBL29727842 1.00 MAPT (0.45) MAPTIDO1TP53GLACYP3A4
SCHEMBL27531911 0.73 MEN1 (0.60) MAPTCYP3A4SMN1; SMN2KMT2AMEN1
SCHEMBL1305574 0.73 MEN1 (0.60) MAPTCYP3A4SMN1; SMN2KMT2AMEN1
SCHEMBL24518536 0.72 CCNT1 (0.42) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL28470725 0.72 NPSR1 (0.40) MAPTIDO1TP53GLACYP3A4
SCHEMBL2379006 0.72 MEN1 (0.62) MAPTCYP3A4SMN1; SMN2KMT2AMEN1
SCHEMBL29727843 0.71 MAPT (0.44) MAPTSMN1; SMN2HSD17B10KMT2AMEN1
SCHEMBL24518537 0.71 MAPT (0.44) MAPTSMN1; SMN2HSD17B10KMT2AMEN1
SCHEMBL13236136 0.71 FFAR1 (0.71) MAPTTHRBKMT2AMEN1KDM4E
SCHEMBL35884 0.68 MEN1 (0.68) MAPTCYP3A4SMN1; SMN2KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820764-B2 Compound modulating GSK-3 activity NATIONAL INSTITUTE OF IMMUNOLOGY (IN) 2023-11-21 — — US disclosed
US-11820764-B2 Compound modulating GSK-3 activity NATIONAL INSTITUTE OF IMMUNOLOGY (IN) 2023-11-21 — — 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-11820764-B2 Compound modulating GSK-3 activity GSK3B, GSK3A, GSKIP MAPT 655/4885IDO1 1914/4885TP53 2465/4885

“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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