SCHEMBL2968592

SCHEMBL2968592

CC(=O)Nc1ccc(Sc2ccc(OCc3ccccc3)cc2N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
LTA4H P09960 2/20 0.50
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.47
TNF P01375 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47

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 0.90 MAOB (0.48) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL2963008 0.89 KDM4E (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2974015 0.89 MAOB (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL2964251 0.89 MTNR1A (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2957105 0.88 MAPT (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL810853 0.87 RAB9A (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL2960977 0.87 RAB9A (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2964875 0.86 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL2970843 0.85 KMT2A (0.50) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL2969127 0.85 MAOB (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1

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 8 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
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 MEN1 4571/4885KMT2A 3566/4885SMN1; SMN2 3135/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MEN1 4571/4885KMT2A 3566/4885SMN1; SMN2 3135/4885

“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.