SCHEMBL6415996

SCHEMBL6415996

Cc1nn(CCN)c(CBr)c1Sc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ POLB P06746 1/20 0.36
▸ SLC2A1 P11166 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ TYMS P04818 3/20 0.32
▸ DHFR P00374 1/20 0.31
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ TP53 P04637 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
SCHEMBL6416474 0.88 LMNA (0.44) LMNANPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL6419920 0.87 NPC1 (0.43) LMNANPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL6416080 0.83 MAPT (0.47) LMNANPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL6422181 0.82 NPC1 (0.40) LMNANPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL6417991 0.82 NPC1 (0.45) LMNANPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL6418182 0.80 NPC1 (0.43) LMNANPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL6415466 0.80 LMNA (0.38) LMNANPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL6416980 0.76 MAPT (0.39) MAPTPOLBGAATP53
SCHEMBL6436435 0.75 POLB (0.37) LMNANPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL6415943 0.74 MAPT (0.44) LMNANPC1RAB9ASMN1; SMN2NPSR1

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 4582/4885NPC1 3266/4885RAB9A 2660/4885

“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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