SCHEMBL2961622

SCHEMBL2961622

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.38
SREBF2 Q12772 1/20 0.36
PIM1 P11309 1/20 0.36
AKT2 P31751 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
KDR P35968 2/20 0.35
PSMB5 P28074 1/20 0.35
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL2962164 0.91 PIM1 (0.43) MAOBPIM1AKT2KDM4EALDH1A1
SCHEMBL2962053 0.91 PIM1 (0.41) MAOBSREBF2PIM1AKT2KDM4E
SCHEMBL2962047 0.89 KDM4E (0.40) SREBF2PIM1AKT2KDM4EALDH1A1
SCHEMBL2021413 0.86 MAOB (0.41) MAOBSREBF2PIM1AKT2KDM4E
SCHEMBL2970188 0.86 PIM1 (0.41) MAOBSREBF2PIM1AKT2KDM4E
SCHEMBL2971404 0.86 MAOB (0.39) MAOBSREBF2PIM1AKT2KDM4E
SCHEMBL2963788 0.84 PIM1 (0.47) MAOBSREBF2PIM1AKT2KDM4E
SCHEMBL2955054 0.83 PIM1 (0.55) MAOBSREBF2PIM1AKT2KDM4E
SCHEMBL2968800 0.83 MAOB (0.40) MAOBPIM1AKT2ALDH1A1MAPT
SCHEMBL2965361 0.83 SREBF2 (0.44) SREBF2PIM1AKT2KDM4EALDH1A1

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 MAOB 3352/4885SREBF2 876/4885PIM1 2963/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MAOB 3352/4885SREBF2 876/4885PIM1 2963/4885

“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.