SCHEMBL7609071

SCHEMBL7609071

CCc1nn(Cc2ccc(C=S)cc2)cc1I

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ DUSP3 P51452 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ KMT2A Q03164 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL7609074 0.82 SMN1; SMN2 (0.37) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL8266547 0.81 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL18390051 0.71 HTT (0.38) SMN1; SMN2NPC1LMNAL3MBTL1
Ammonia Solution, Strong SCHEMBL28919773 0.70 HTT (0.37) SMN1; SMN2NPC1LMNAL3MBTL1
SCHEMBL370625 0.68 MEN1 (0.44) RAB9ANPC1MAPTL3MBTL1KMT2A
SCHEMBL3263764 0.67 MAOA (0.44) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL17247573 0.66 KDR (0.36) KMT2A
SCHEMBL7602975 0.64 LRRK2 (0.33) RAB9ANPC1
SCHEMBL15884937 0.64 PDE4D (0.38) KMT2A
SCHEMBL4552450 0.63 MEN1 (0.45) RAB9ANPC1MAPTL3MBTL1KMT2A

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-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity HALE JEFFREY J (US) 2002-07-18 — — 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-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity CCR5, CCR1, CXCR1 SMN1; SMN2 4716/4885RAB9A 310/4885NPC1 1033/4885

“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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