SCHEMBL29847457

SCHEMBL29847457

Cc1cc(C)cc(N(C(C)C(=O)Nc2ccccc2Sc2ccccc2)[S+](C)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 6/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ L3MBTL1 Q9Y468 7/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 8/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ BLM P54132 1/20 0.41
▸ HPGD P15428 4/20 0.41
▸ POLB P06746 1/20 0.41
▸ LMNA P02545 6/20 0.40
▸ ATM Q13315 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ CETP P11597 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL29613650 0.80 NPSR1 (0.82) NPSR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24445725 0.80 NPSR1 (0.82) NPSR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11034598 0.70 CYP3A4 (0.60) NPSR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4654049 0.68 TDP1 (0.72) NPSR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19712968 0.65 TDP1 (0.62) NPSR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL27424267 0.65 LMNA (0.52) NPSR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9049960 0.63 MAPT (0.64) NPSR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6937543 0.63 DDX3X (0.50) NPSR1L3MBTL1TDP1MAPTALDH1A1
SCHEMBL28896841 0.62 TDP1 (1.00) NPSR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25387353 0.62 L3MBTL1 (0.54) NPSR1CYP3A4CYP2D6CYP2C9CYP2C19

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-20220313633-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BONE DISEASES INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2022-10-06 — — 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-20220313633-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BONE DISEASES HPGDS, ARG1, RELA NPSR1 1811/4885CYP3A4 3831/4885CYP2D6 3098/4885

“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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