SCHEMBL6421396

SCHEMBL6421396

Cc1nn(CCN)c(C)c1Sc1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TP53 P04637 4/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL6420111 0.87 POLB (0.46) LMNATSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6438110 0.81 SMN1; SMN2 (0.54) LMNATSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6416978 0.77 MAPT (0.44) LMNATSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6416415 0.76 ALDH1A1 (0.39) LMNATSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6416049 0.73 HTR2C (0.37) LMNATSHRMAPK1TP53MEN1
SCHEMBL6417991 0.73 NPC1 (0.45) LMNATSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL5749538 0.72 TP53 (0.54) LMNATSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6416474 0.72 LMNA (0.44) LMNATSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6415466 0.71 LMNA (0.38) LMNATSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6418182 0.71 NPC1 (0.43) LMNATSHRMAPK1SMN1; SMN2NPC1

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-20050119489-A1 4-Sulfide/sulfoxide/sulfonyl-1h-pyrazolyl derivative compounds, for use in diseases associated with the 5-ht2c receptor BAYER HEALTHCARE AG (DE) 2005-06-02 — — 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-20050119489-A1 4-Sulfide/sulfoxide/sulfonyl-1h-pyrazolyl derivative compounds, for use in diseases associated with the 5-ht2c receptor HTR2C, HTR2A, HTR2B LMNA 4582/4885TSHR 82/4885MAPK1 3825/4885

“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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