SCHEMBL2961833

SCHEMBL2961833

CCCc1ccc2c(Nc3cc(Cl)ccc3Oc3cccc(C(=O)NCC)c3)ccnc2n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.44
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
KDR P35968 2/20 0.40
FLT1 P17948 1/20 0.40
SNCA P37840 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGDR Q13258 3/20 0.39
SCN9A Q15858 1/20 0.39
AURKA O14965 1/20 0.38
LCK P06239 1/20 0.38
MET P08581 1/20 0.38
TEK Q02763 1/20 0.38
AURKB Q96GD4 1/20 0.38
IGF1R P08069 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
SCHEMBL2957831 0.95 NR1H2 (0.42) PTGDR2NR1H2NR1H3KDRSNCA
SCHEMBL2960808 0.91 P2RX3 (0.41) PTGDR2LMNAMAPTSMN1; SMN2IGF1R
SCHEMBL2966433 0.91 LOXL2 (0.46) KDRLMNAMAPTSMN1; SMN2
SCHEMBL2969143 0.89 L3MBTL1 (0.43) LMNAMAPTSMN1; SMN2IGF1R
SCHEMBL2960346 0.89 NR4A2 (0.40) PTGDR2LMNAMAPTSMN1; SMN2IGF1R
SCHEMBL2959915 0.89 MAPT (0.42) KDRLMNAMAPTSMN1; SMN2
SCHEMBL2964882 0.86 PTGDR (0.42) PTGDR2KDRSNCALMNAMAPT
SCHEMBL2962152 0.84 MAPT (0.39) PTGDR2LMNAMAPTSMN1; SMN2PTGDR
SCHEMBL2964021 0.84 LOX (0.43) PTGDR2KDRFLT1MAPTSMN1; SMN2
SCHEMBL2967382 0.83 NR4A2 (0.38) KDRLMNAMAPTSMN1; SMN2IGF1R

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 PTGDR2 4777/4885NR1H2 221/4885NR1H3 184/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PTGDR2 4777/4885NR1H2 221/4885NR1H3 184/4885

“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.