SCHEMBL2967083

SCHEMBL2967083

Nc1cc(COc2ccccc2)ccc1Sc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
F10 P00742 1/20 0.42
MAPT P10636 4/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 2/20 0.41
BLM P54132 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
ATM Q13315 1/20 0.41
MAOB P27338 3/20 0.40
BCHE P06276 2/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL2955723 0.87 APP (0.42) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL811334 0.86 CYP1A2 (0.55) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL810394 0.86 MAOB (0.52) MAOBALDH1A1RAB9AMAOASMN1; SMN2
SCHEMBL810860 0.80 MAOB (0.52) SLC6A2SLC6A3MEN1KMT2AMAOB
SCHEMBL810574 0.79 MAOB (0.49) LMNASLC6A2MAPTMEN1BLM
SCHEMBL810140 0.79 MAOB (0.46) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL810135 0.79 MAPT (0.48) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL2969952 0.79 KDM4E (0.47) LMNASLC6A2SLC6A3MAPTMAOB
SCHEMBL810527 0.79 MAOB (0.44) LMNASLC6A2SLC6A3MAPTGAA
SCHEMBL811078 0.79 CYP3A4 (0.46) CYP1A2LMNAPTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
CN-102702194-A Anti-viral compounds ABBOTT LAB 2012-10-03 CN disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (2 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 CYP1A2 877/4885LMNA 3252/4885PTGS1 2132/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 CYP1A2 877/4885LMNA 3252/4885PTGS1 2132/4885

“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.