SCHEMBL6416307

SCHEMBL6416307

CCc1nn(CCN)c(CC)c1Sc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PTGDR2 Q9Y5Y4 3/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ DHFR P00374 1/20 0.32
▸ TYMS P04818 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ MAPT P10636 4/20 0.31
▸ GAA P10253 3/20 0.31
▸ TP53 P04637 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ HTR1A P08908 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD4 P21917 1/20 0.30

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
SCHEMBL6421914 0.79 AURKA (0.38) PTGDR2KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6422184 0.79 BRD4 (0.36) LMNAALDH1A1KMT2ASMN1; SMN2HTR2C
SCHEMBL6420111 0.72 POLB (0.46) LMNAALDH1A1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL6420747 0.71 TYMS (0.34) LMNAKMT2AMEN1SMN1; SMN2DHFR
SCHEMBL6421156 0.70 LMNA (0.43) LMNAALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL5751019 0.68 PTGDR2 (0.33) PTGDR2
SCHEMBL5752390 0.65 PGR (0.33) —
SCHEMBL6415583 0.64 NPC1 (0.36) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6415996 0.61 LMNA (0.43) LMNAALDH1A1SMN1; SMN2DHFRTYMS
SCHEMBL5752005 0.61 BRD4 (0.32) PTGDR2DHFRTYMS

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 4582/4885ALDH1A1 813/4885ALOX15 1805/4885

“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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