SCHEMBL16178031

SCHEMBL16178031

Cc1ccc(S(=O)(=O)n2c(Br)ccc2C(=O)C(C#N)=CN(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.38
▸ LMNA P02545 3/20 0.36
▸ HPGD P15428 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.32
▸ NOD1 Q9Y239 1/20 0.32

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
SCHEMBL16178030 1.00 NPSR1 (0.38) NPSR1LMNAHPGDRAB9AL3MBTL1
SCHEMBL10003003 0.81 ALOX5 (0.43) NPSR1LMNAHPGDL3MBTL1ALDH1A1
SCHEMBL10003002 0.81 ALOX5 (0.43) NPSR1LMNAHPGDL3MBTL1ALDH1A1
SCHEMBL10003661 0.81 ALOX5 (0.43) NPSR1LMNAHPGDALDH1A1ALOX5
SCHEMBL10003655 0.81 ALOX5 (0.43) NPSR1LMNAHPGDALDH1A1ALOX5
SCHEMBL10003870 0.81 NPSR1 (0.41) NPSR1LMNAHPGDRAB9AL3MBTL1
SCHEMBL10003873 0.81 NPSR1 (0.41) NPSR1LMNAHPGDRAB9AL3MBTL1
SCHEMBL10003580 0.80 ALOX5 (0.39) NPSR1LMNAHPGDRAB9AL3MBTL1
SCHEMBL10003582 0.80 ALOX5 (0.39) NPSR1LMNAHPGDRAB9AL3MBTL1
SCHEMBL18332013 0.80 ALOX5 (0.41) NPSR1LMNAHPGDRAB9AL3MBTL1

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-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — 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-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 NPSR1 2432/4885LMNA 4133/4885HPGD 345/4885

“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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