SCHEMBL6078617

SCHEMBL6078617

OCc1ccccc1-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
ADRA1D P25100 1/20 0.43
CASP6 P55212 1/20 0.42
ATR Q13535 2/20 0.40
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
METAP2 P50579 1/20 0.38
TERT O14746 3/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNA5 P22460 1/20 0.37
KCNH2 Q12809 1/20 0.37
PDE10A Q9Y233 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
PDCD1 Q15116 1/20 0.37

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
SCHEMBL11065624 0.83 PDCD1 (0.51) ADRA1AADRA1BADRA1DCASP6TERT
SCHEMBL29471008 0.82 ADRA1A (0.43) ADRA1AADRA1BADRA1DCASP6ATR
SCHEMBL10653378 0.82 DPP4 (0.46) ADRA1AADRA1BADRA1DCASP6ATR
SCHEMBL9582878 0.82 ADRA1A (0.43) ADRA1AADRA1BADRA1DCASP6ALOX5AP
Hydrochloric Acid SCHEMBL6077383 0.81 DPP4 (0.44) ADRA1AADRA1BADRA1DCASP6ATR
SCHEMBL477370 0.79 KDM4E (0.50) CASP6ATRKDM4EL3MBTL1ALDH1A1
SCHEMBL12853973 0.78 ALOX5AP (0.50) ADRA1AADRA1BADRA1DCASP6ALOX5AP
SCHEMBL12853984 0.78 ALOX5AP (0.50) ADRA1AADRA1BADRA1DCASP6ALOX5AP
Methane SCHEMBL28035176 0.78 KDM4E (0.48) CASP6ATRKDM4EL3MBTL1ALDH1A1
SCHEMBL6823195 0.77 PIEZO1 (0.44) CASP6TERTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144899-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-12-05 US disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 US disclosed
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 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-20040073025-A1 Thrombin inhibitors F2, F11, F10 ADRA1A 1816/4885ADRA1B 1792/4885ADRA1D 1359/4885

“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.