SCHEMBL2964251

SCHEMBL2964251

COc1cccc(COc2ccc(Sc3ccc(NC(C)=O)cc3)c(N)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.48
MTNR1B P49286 4/20 0.48
F2 P00734 1/20 0.46
F7 P08709 1/20 0.46
MAOB P27338 4/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ROCK2 O75116 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2021283 0.89 MAOB (0.48) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL2968592 0.89 MEN1 (0.51) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2974015 0.88 MAOB (0.49) MAOBMRGPRX4MEN1KMT2ANPC1
SCHEMBL2969127 0.87 MAOB (0.53) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL810860 0.85 MAOB (0.52) MAOBMRGPRX4MEN1KMT2ANPC1
SCHEMBL2957105 0.83 MAPT (0.52) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2963008 0.83 KDM4E (0.48) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL2960977 0.80 RAB9A (0.44) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL2964875 0.80 MEN1 (0.48) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL2970843 0.79 KMT2A (0.50) MEN1KMT2ANPC1RAB9AKDM4E

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 MTNR1A 4309/4885MTNR1B 4306/4885F2 2150/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MTNR1A 4309/4885MTNR1B 4306/4885F2 2150/4885

“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.