SCHEMBL4100411

SCHEMBL4100411

Cc1c(N)cccc1CC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
PIK3CA P42336 1/20 0.48
ESR1 P03372 1/20 0.47
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ICMT O60725 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.36
FDPS P14324 1/20 0.36
CA2 P00918 1/20 0.35
CD44 P16070 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 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
SCHEMBL1678485 0.85 AKR1B1 (0.48) CYP3A4TSHRPIK3CAESR1KCNH2
SCHEMBL339508 0.82 P2RX7 (0.44) ESR1ALDH1A1GAANPSR1ICMT
SCHEMBL28176483 0.82 HTT (0.37) CYP3A4TSHRPIK3CAESR1KCNH2
SCHEMBL5210376 0.81 GAA (0.50) TSHRALDH1A1GAANPSR1ICMT
Hydrochloric Acid SCHEMBL14167164 0.81 P2RX7 (0.43) TSHRESR1ALDH1A1GAANPSR1
SCHEMBL27528089 0.80 MTNR1A (0.47) CYP3A4TSHRPIK3CAESR1KCNH2
SCHEMBL8524830 0.80 ESR1 (0.47) CYP3A4TSHRPIK3CAESR1KCNH2
SCHEMBL1817738 0.80 GAA (0.41) GAANPSR1FDPSCA2CD44
SCHEMBL1039164 0.79 FDPS (0.48) CYP3A4TSHRALDH1A1GAANPSR1
SCHEMBL13750888 0.79 GAA (0.38) GAANPSR1ICMTHTTCA2

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
US-8318761-B2 Substituted arylsulfonamides as antiviral agents AICURIS GMBH & CO. KG (DE) 2012-11-27 US disclosed
EP-1991529-B1 SUBSTITUTED ARYLSULFONAMIDES AS ANTIVIRAL AGENTS AICURIS GMBH & CO KG (DE) 2009-12-09 EP disclosed
US-20090176842-A1 SUBSTITUTED ARYLSULFONAMIDES AS ANTIVIRAL AGENTS AICURIS ANTI-INFECTIVE CURES GMBH (DE) 2009-07-09 US disclosed
EP-1991529-A1 SUBSTITUTED ARYLSULFONAMIDES AS ANTIVIRAL AGENTS AiCuris GmbH & Co. KG (DE) 2008-11-19 EP disclosed
WO-2007101573-A1 SUBSTITUTED ARYLSULFONAMIDES AS ANTIVIRAL AGENTS AICURIS GMBH & CO. KG (DE) 2007-09-13 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-20090176842-A1 SUBSTITUTED ARYLSULFONAMIDES AS ANTIVIRAL AGENTS TPMT, ARSA, TYMP CYP3A4 261/4885TSHR 3623/4885PIK3CA 2508/4885

“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.