SCHEMBL2964882

SCHEMBL2964882

CCCNC(=O)c1ccc(Oc2ccc(Cl)cc2Nc2ccnc3nc(CCC)ccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 5/20 0.42
PTGDR2 Q9Y5Y4 5/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SNCA P37840 1/20 0.39
CCR2 P41597 4/20 0.38
ASIC3 Q9UHC3 1/20 0.38
NAMPT P43490 1/20 0.38
AURKA O14965 1/20 0.37
LCK P06239 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
NR4A2 P43354 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36

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
SCHEMBL2964021 0.94 LOX (0.43) PTGDRPTGDR2MAPTSMN1; SMN2ALDH1A1
SCHEMBL2962152 0.92 MAPT (0.39) PTGDRPTGDR2MAPTSMN1; SMN2ALDH1A1
SCHEMBL2957831 0.91 NR1H2 (0.42) PTGDRPTGDR2MAPTSNCAASIC3
SCHEMBL2961776 0.91 IGF1R (0.42) PTGDRPTGDR2MAPTSMN1; SMN2ALDH1A1
SCHEMBL2961833 0.86 PTGDR2 (0.44) PTGDRPTGDR2MAPTSMN1; SMN2SNCA
SCHEMBL2970337 0.85 NR4A2 (0.39) PTGDRPTGDR2MAPTSMN1; SMN2ALDH1A1
SCHEMBL2970343 0.85 NR4A2 (0.39) PTGDRPTGDR2MAPTSMN1; SMN2ALDH1A1
SCHEMBL2969131 0.85 NR4A2 (0.40) PTGDRPTGDR2MAPTSMN1; SMN2ALDH1A1
SCHEMBL2021732 0.83 LOX (0.44) PTGDR2MAPTCCR2NAMPTAURKA
SCHEMBL2968674 0.83 NR4A2 (0.39) PTGDRPTGDR2MAPTSMN1; SMN2ALDH1A1

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 PTGDR 4660/4885PTGDR2 4777/4885MAPT 1347/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PTGDR 4660/4885PTGDR2 4777/4885MAPT 1347/4885

“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.