SCHEMBL2969131

SCHEMBL2969131

CCCc1ccc2c(Nc3cc(Cl)ccc3Oc3ccc(C(=O)N(C)OC)cc3)ccnc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.40
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IGF1R P08069 1/20 0.37
CSF1R P07333 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
PDGFRA P16234 1/20 0.34
KDR P35968 1/20 0.34
LMNA P02545 1/20 0.34
ENPP1 P22413 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL2960941 0.88 IGF1R (0.44) NR4A2MAPTSMN1; SMN2IGF1RCSF1R
SCHEMBL2962152 0.87 MAPT (0.39) NR4A2MAPTALDH1A1SMN1; SMN2IGF1R
SCHEMBL2964882 0.85 PTGDR (0.42) NR4A2MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2964021 0.85 LOX (0.43) NR4A2MAPTALDH1A1SMN1; SMN2KDR
SCHEMBL2970337 0.84 NR4A2 (0.39) NR4A2MAPTALDH1A1SMN1; SMN2IGF1R
SCHEMBL2970343 0.84 NR4A2 (0.39) NR4A2MAPTALDH1A1SMN1; SMN2IGF1R
SCHEMBL2960346 0.84 NR4A2 (0.40) NR4A2MAPTSMN1; SMN2IGF1RGAA
SCHEMBL2968674 0.81 NR4A2 (0.39) NR4A2MAPTALDH1A1SMN1; SMN2IGF1R
SCHEMBL2960808 0.80 P2RX3 (0.41) NR4A2MAPTSMN1; SMN2IGF1RGAA
SCHEMBL2957768 0.80 IGF1R (0.42) NR4A2MAPTALDH1A1SMN1; 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 NR4A2 2293/4885MAPT 1347/4885ALDH1A1 2723/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 NR4A2 2293/4885MAPT 1347/4885ALDH1A1 2723/4885

“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.