SCHEMBL17187828

SCHEMBL17187828

CC(C)(C#N)c1cccc2ccc(Br)cc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.37
▸ HTR6 P50406 2/20 0.34
▸ CSNK2A1 P68400 1/20 0.33
▸ CYP1A2 P05177 3/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PTPRC P08575 1/20 0.31
▸ TYMS P04818 1/20 0.31
▸ AR P10275 1/20 0.30
▸ AHR P35869 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
SCHEMBL13433295 0.81 CYP2A6 (0.43) CYP2A6HTR6CYP1A2CYP2C19HTT
SCHEMBL17187905 0.81 CYP1A2 (0.37) CYP2A6CYP1A2PTPRCTYMSAHR
SCHEMBL5644819 0.79 ALDH1A1 (0.40) CYP2A6CYP1A2CYP2C19HTTALDH1A1
SCHEMBL17187860 0.78 CYP1A2 (0.44) CYP2A6CYP1A2ALDH1A1
SCHEMBL18428152 0.75 HTR6 (0.39) CYP2A6HTR6CYP1A2CYP2C19HTT
SCHEMBL18428145 0.71 ALOX5 (0.52) —
SCHEMBL17187806 0.71 CYP1A2 (0.37) CYP2A6HTR6CYP1A2AHR
SCHEMBL307346 0.70 PYCR1 (0.33) CSNK2A1ALDH1A1NPSR1
SCHEMBL3860257 0.69 PTGDR2 (0.31) —
SCHEMBL307319 0.69 PYCR1 (0.34) HTTALDH1A1

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
EP-3134392-B1 SULFONAMIDE DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2019-01-02 — — EP disclosed
US-9840482-B2 Sulfonamide derivatives and pharmaceutical applications thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-12-12 — — US disclosed
EP-3134392-A1 SULFONAMIDE DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2017-03-01 — — EP disclosed
US-20170037017-A1 Sulfonamide Derivatives And Pharmaceutical Applications Thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-02-09 — — US disclosed
WO-2015158313-A1 SULFONAMIDE DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-22 — — WO 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-20170037017-A1 Sulfonamide Derivatives And Pharmaceutical Applications Thereof HTR6, SLC6A4, HTR2A CYP2A6 26/4885HTR6 1/4885CSNK2A1 2271/4885

“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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