SCHEMBL2961776

SCHEMBL2961776

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGDR2 Q9Y5Y4 5/20 0.39
PTGDR Q13258 3/20 0.39
CCR2 P41597 4/20 0.39
NPC1 O15118 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
NR4A2 P43354 1/20 0.38
AURKA O14965 1/20 0.38
LCK P06239 1/20 0.38
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2021732 0.92 LOX (0.44) IGF1RMAPTPTGDR2CCR2NPC1
SCHEMBL2964882 0.91 PTGDR (0.42) MAPTSMN1; SMN2ALDH1A1PTGDR2PTGDR
SCHEMBL2968819 0.89 IGF1R (0.45) IGF1RMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL2957768 0.85 IGF1R (0.42) IGF1RMAPTSMN1; SMN2ALDH1A1NR4A2
SCHEMBL2964021 0.85 LOX (0.43) MAPTSMN1; SMN2ALDH1A1PTGDR2PTGDR
SCHEMBL2955700 0.83 IGF1R (0.45) IGF1RMAPTNR4A2KDR
SCHEMBL2960941 0.82 IGF1R (0.44) IGF1RMAPTSMN1; SMN2NR4A2KDR
SCHEMBL2962152 0.82 MAPT (0.39) IGF1RMAPTSMN1; SMN2ALDH1A1PTGDR2
SCHEMBL2957831 0.82 NR1H2 (0.42) MAPTPTGDR2PTGDRAURKALCK
SCHEMBL2968878 0.81 IGF1R (0.47) IGF1RMAPTSMN1; SMN2ALDH1A1KDR

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 IGF1R 4518/4885MAPT 1347/4885SMN1; SMN2 3135/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 IGF1R 4518/4885MAPT 1347/4885SMN1; SMN2 3135/4885

“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.