SCHEMBL21875134

SCHEMBL21875134

O=C(NCc1cnccn1)c1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.52
▸ GRM4 Q14833 1/20 0.48
▸ NAMPT P43490 3/20 0.47
▸ CYP2C9 P11712 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KLKB1 P03952 4/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HPGDS O60760 1/20 0.41
▸ CA2 P00918 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL21875060 0.89 GRM4 (0.47) ALDH1A1GRM4NAMPTCYP2C9KLKB1
SCHEMBL21875178 0.89 GRM4 (0.47) ALDH1A1GRM4NAMPTCYP2C9KLKB1
SCHEMBL21875107 0.87 KLKB1 (0.58) ALDH1A1NAMPTCYP2C9CYP1A2HPGD
SCHEMBL21875118 0.79 MEN1 (0.47) ALDH1A1NAMPTCYP2C9HPGDKLKB1
SCHEMBL21875067 0.78 GRM4 (0.47) ALDH1A1GRM4NAMPTKLKB1CA2
SCHEMBL21875069 0.75 NAMPT (0.48) GRM4NAMPTKLKB1
SCHEMBL21875171 0.75 KLKB1 (0.49) ALDH1A1GRM4NAMPTKLKB1CA2
SCHEMBL21875143 0.75 KMT2A (0.62) ALDH1A1GRM4CYP2C9CYP1A2CYP2C19
SCHEMBL21875153 0.75 GRM4 (0.50) ALDH1A1GRM4NAMPTKLKB1KMT2A
SCHEMBL21875093 0.74 NAMPT (0.46) ALDH1A1GRM4NAMPTKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113056461-A Arylsulfonyl pyrrole carboxamide derivatives as Kv3 potassium channel activators H.隆德贝克有限公司 2021-06-29 — — CN claimed
US-20200131156-A1 ARYLSULFONYLPYROLECARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS H. LUNDBECK A/S (DK) 2020-04-30 — — US claimed
CN-113056461-A Arylsulfonyl pyrrole carboxamide derivatives as Kv3 potassium channel activators H.隆德贝克有限公司 2021-06-29 — — CN disclosed
US-20200131156-A1 ARYLSULFONYLPYROLECARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS H. LUNDBECK A/S (DK) 2020-04-30 — — US disclosed
US-20200131156-A1 ARYLSULFONYLPYROLECARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS H. LUNDBECK A/S (DK) 2020-04-30 — — 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-20200131156-A1 ARYLSULFONYLPYROLECARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS KCNA3, KCNN3, KCNK3 ALDH1A1 4451/4885GRM4 1103/4885NAMPT 3382/4885

“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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