SCHEMBL2960969

SCHEMBL2960969

Nc1cc(Cl)cc(Oc2ccc(O)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ST14 Q9Y5Y6 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NLRP3 Q96P20 1/20 0.46
LTA4H P09960 3/20 0.45
NR1H2 P55055 1/20 0.45
BAX Q07812 1/20 0.45
MAPK1 P28482 1/20 0.44
CYP3A4 P08684 2/20 0.43
PARP10 Q53GL7 1/20 0.43

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
SCHEMBL19433360 0.86 MAOA (0.65) MEN1KMT2AMAOAMAOBF2
SCHEMBL7188917 0.86 MAOA (0.65) MEN1KMT2AMAOAMAOBF2
SCHEMBL3937575 0.86 MEN1 (0.64) MEN1KMT2AESR1ESR2MAOB
SCHEMBL4044005 0.86 MEN1 (0.64) MEN1KMT2AESR1ESR2MAOA
SCHEMBL7190886 0.84 CYP3A4 (0.60) MEN1KMT2AMAOAMAOBF2
SCHEMBL3791201 0.81 MEN1 (0.63) MEN1KMT2AMAOAMAOBF2
SCHEMBL13157438 0.81 ESR2 (0.56) MEN1KMT2AESR1ESR2F2
SCHEMBL10702865 0.78 MAOA (0.71) MEN1KMT2AMAOAMAOBNPC1
SCHEMBL10875292 0.78 ESR1 (0.52) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL2808226 0.77 MEN1 (0.50) MEN1KMT2AMAOAMAOBF2

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 7 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
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
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 MEN1 4571/4885KMT2A 3566/4885ESR1 2801/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MEN1 4571/4885KMT2A 3566/4885ESR1 2801/4885

“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.