SCHEMBL2962047

SCHEMBL2962047

CCCc1ccc2c(Nc3cc(OCc4ccc(C(=O)OC)cc4)ccc3Sc3ccc(NC(C)=O)cc3)ccnc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
SYK P43405 1/20 0.38
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
SREBF2 Q12772 1/20 0.37
PIM1 P11309 1/20 0.37
AKT2 P31751 1/20 0.37
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
AR P10275 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
SCHEMBL2962053 0.91 PIM1 (0.41) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL2961622 0.89 MAOB (0.38) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL2971404 0.88 MAOB (0.39) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL2021413 0.87 MAOB (0.41) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL2970188 0.86 PIM1 (0.41) KDM4EMAPTGAASMN1; SMN2SREBF2
SCHEMBL2968800 0.85 MAOB (0.40) MAPTALDH1A1LMNAHTTPIM1
SCHEMBL2963788 0.85 PIM1 (0.47) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL2955054 0.84 PIM1 (0.55) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL2965361 0.84 SREBF2 (0.44) KDM4EMAPTALDH1A1GAACYP3A4
SCHEMBL2969904 0.82 PIM1 (0.48) KDM4EMAPTALDH1A1GAAHPGD

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 KDM4E 1822/4885MAPT 1347/4885ALDH1A1 2723/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 KDM4E 1822/4885MAPT 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.