SCHEMBL4109346

SCHEMBL4109346

O=S(=O)(N1CC2CCC(C1)O2)n1ccnc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.39
▸ NAMPT P43490 11/20 0.36
▸ CYP2C9 P11712 2/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ FABP4 P15090 1/20 0.31

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
SCHEMBL24981887 0.79 HTT (0.40) HTTNAMPTTP53TSHRLMNA
SCHEMBL4111848 0.72 HTT (0.40) HTTNAMPTTP53TSHRLMNA
SCHEMBL3432500 0.72 HTT (0.40) HTTTP53TSHRLMNAFABP4
SCHEMBL23089860 0.72 HTT (0.43) HTTNAMPTTP53TSHRLMNA
SCHEMBL6300741 0.72 HTT (0.58) HTTTP53TSHRLMNAFABP4
SCHEMBL1157477 0.72 HTT (0.58) HTTTP53TSHRLMNAFABP4
SCHEMBL13284444 0.72 HTT (0.46) HTTTP53TSHRLMNAFABP4
SCHEMBL4102300 0.71 HTT (0.42) HTTTP53TSHRLMNAFABP4
SCHEMBL3581192 0.71 CA12 (0.52) HTTTSHRLMNA
SCHEMBL3243207 0.70 POLB (0.46) HTTTP53TSHRLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 — — US disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 — — 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A HTT 1042/4885NAMPT 2203/4885CYP2C9 458/4885

“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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