SCHEMBL2963008

SCHEMBL2963008

CC(=O)Nc1ccc(Sc2ccc(OCc3ccc(Br)cc3)cc2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAOB P27338 4/20 0.46
MAOA P21397 3/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SMPD1 P17405 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL2968592 0.89 MEN1 (0.51) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL2974015 0.89 MAOB (0.49) MEN1KMT2AMAOBMAOANPC1
SCHEMBL2957105 0.88 MAPT (0.52) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL2960977 0.87 RAB9A (0.44) KDM4EMAPTMEN1KMT2AMAOB
SCHEMBL2970843 0.84 KMT2A (0.50) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL2021283 0.84 MAOB (0.48) KDM4EMAPTMEN1KMT2AMAOB
SCHEMBL810140 0.83 MAOB (0.46) MAOBMAOASMPD1RXRARXRB
SCHEMBL2964251 0.83 MTNR1A (0.48) KDM4EMEN1KMT2AMAOBNPC1
SCHEMBL2971539 0.82 HDAC1 (0.53) KDM4EMAPTMEN1KMT2ARAB9A
SCHEMBL2969123 0.81 ALDH1A1 (0.47) KDM4EMAPTMEN1KMT2ARAB9A

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 KDM4E 1822/4885MAPT 1347/4885MEN1 4571/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 KDM4E 1822/4885MAPT 1347/4885MEN1 4571/4885

“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.