SCHEMBL4073407

SCHEMBL4073407

Ic1ccccc1-c1cnccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
ADRA1D P25100 1/20 0.42
METAP2 P50579 1/20 0.41
PIM1 P11309 2/20 0.38
DCTPP1 Q9H773 2/20 0.38
CYP2A6 P11509 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CDC42BPB Q9Y5S2 1/20 0.36
CASP6 P55212 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL5263698 0.90 TERT (0.39) ADRA1AADRA1BALOX5APFEN1ADRA1D
SCHEMBL12853973 0.83 ALOX5AP (0.50) ADRA1AADRA1BALOX5APFEN1ADRA1D
SCHEMBL12853984 0.83 ALOX5AP (0.50) ADRA1AADRA1BALOX5APFEN1ADRA1D
SCHEMBL277492 0.77 KDM4E (0.56) DCTPP1CYP2A6ALDH1A1ALOX15TSHR
SCHEMBL31681935 0.76 IDO1 (0.47) ADRA1AADRA1BALOX5APFEN1ADRA1D
SCHEMBL31140243 0.76 ALOX5AP (0.55) ADRA1AADRA1BALOX5APFEN1ADRA1D
SCHEMBL2556892 0.76 DCTPP1 (0.54) ADRA1AADRA1BALOX5APFEN1ADRA1D
SCHEMBL3948877 0.76 IDO1 (0.48) ADRA1AADRA1BALOX5APFEN1ADRA1D
SCHEMBL16640380 0.76 ALOX5AP (0.55) ADRA1AADRA1BALOX5APFEN1ADRA1D
SCHEMBL11072754 0.76 ADRA1A (0.43) ADRA1AADRA1BALOX5APFEN1ADRA1D

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-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 US disclosed
EP-1824817-B1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2009-02-04 EP disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 US disclosed
EP-1824817-A1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-08-29 EP disclosed
WO-2006059149-A1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-06-08 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-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists HTR2A, HTR2C, HTR1A ADRA1A 82/4885ADRA1B 72/4885ALOX5AP 592/4885

“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.