SCHEMBL2974015

SCHEMBL2974015

CC(=O)Nc1ccc(Sc2ccc(OCc3cccc(Br)c3)cc2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.49
MAOA P21397 3/20 0.49
PARP15 Q460N3 3/20 0.47
PARP10 Q53GL7 2/20 0.47
PARP14 Q460N5 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
SIRT3 Q9NTG7 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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) MAOBNPC1RAB9AALDH1A1SIRT2
SCHEMBL2963008 0.89 KDM4E (0.48) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL2968592 0.89 MEN1 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL2964251 0.88 MTNR1A (0.48) MAOBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2969127 0.85 MAOB (0.53) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL810088 0.84 MAOB (0.52) MAOBMAOAPARP15PARP10PARP14
SCHEMBL2970843 0.83 KMT2A (0.50) PARP10NPC1RAB9AALDH1A1FFAR1
SCHEMBL2957105 0.81 MAPT (0.52) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL2960977 0.80 RAB9A (0.44) MAOBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2964875 0.80 MEN1 (0.48) MAOBNPC1RAB9AALDH1A1MEN1

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 6 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
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US 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 3352/4885MAOA 3771/4885PARP15 3286/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MAOB 3352/4885MAOA 3771/4885PARP15 3286/4885

“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.