SCHEMBL6420111

SCHEMBL6420111

Cc1nn(CCN)c(C)c1Sc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 6/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GAA P10253 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ TP53 P04637 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.37

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
SCHEMBL6421396 0.87 LMNA (0.47) POLBALDH1A1LMNATSHRMAPK1
SCHEMBL6416978 0.75 MAPT (0.44) ALDH1A1LMNATSHRMAPK1SMN1; SMN2
SCHEMBL6416307 0.72 LMNA (0.36) POLBALDH1A1LMNASMN1; SMN2PKM
SCHEMBL6417991 0.71 NPC1 (0.45) POLBALDH1A1LMNATSHRMAPK1
SCHEMBL5749538 0.71 TP53 (0.54) POLBALDH1A1LMNATSHRMAPK1
SCHEMBL6416474 0.71 LMNA (0.44) POLBALDH1A1LMNATSHRMAPK1
SCHEMBL6415466 0.70 LMNA (0.38) POLBALDH1A1LMNATSHRMAPK1
SCHEMBL6415996 0.70 LMNA (0.43) POLBALDH1A1LMNATSHRMAPK1
SCHEMBL6418182 0.70 NPC1 (0.43) POLBLMNATSHRMAPK1SMN1; SMN2
SCHEMBL6419920 0.70 NPC1 (0.43) POLBALDH1A1LMNATSHRMAPK1

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 POLB 4761/4885ALDH1A1 813/4885LMNA 4582/4885

“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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