SCHEMBL12099602

SCHEMBL12099602

O=CN1CCC(S(=O)(=O)c2ccc(Cl)cc2)CC1c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 3/20 0.40
▸ PSEN2 P49810 3/20 0.40
▸ APH1B Q8WW43 3/20 0.40
▸ NCSTN Q92542 3/20 0.40
▸ APH1A Q96BI3 3/20 0.40
▸ PSENEN Q9NZ42 3/20 0.40
▸ HTR2A P28223 3/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ USP30 Q70CQ3 3/20 0.36
▸ ELOVL6 Q9H5J4 2/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL1761034 0.69 EPHX2 (0.50) HTR2AHTR2CDRD2KCNH2LMNA
SCHEMBL15005818 0.67 MGLL (0.56) LMNATP53MEN1KMT2AL3MBTL1
SCHEMBL217625 0.66 ALDH1A1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2931624 0.66 SPR (0.53) HTR2AHTR2CDRD2KCNH2ALDH1A1
SCHEMBL31581033 0.66 HTR3A (0.44) HTR2AHTR2C
SCHEMBL765653 0.65 ALDH1A1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1806612 0.64 CA12 (0.62) ALDH1A1MEN1KMT2APOLB
SCHEMBL21032803 0.63 ALDH1A1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21032959 0.63 ALDH1A1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6179987 0.63 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A

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-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B PSEN1 2376/4885PSEN2 2880/4885APH1B 2144/4885

“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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