SCHEMBL2964875

SCHEMBL2964875

CC(=O)Nc1ccc(Sc2ccc(OCc3ccccc3C)cc2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 2/20 0.47
MAOB P27338 1/20 0.46
NPC1 O15118 1/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC26A4 O43511 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 2/20 0.40
ALOX15 P16050 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
SCHEMBL2970843 0.89 KMT2A (0.50) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL2968592 0.86 MEN1 (0.51) MEN1KMT2AALDH1A1RAB9AGAA
SCHEMBL810856 0.85 MAOB (0.44) MEN1KMT2AALDH1A1MAPTMAOB
SCHEMBL2021283 0.83 MAOB (0.48) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL2969123 0.81 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL2963008 0.80 KDM4E (0.48) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL2964251 0.80 MTNR1A (0.48) MEN1KMT2AALDH1A1RAB9AMAOB
SCHEMBL2974015 0.80 MAOB (0.49) MEN1KMT2AALDH1A1RAB9AMAOB
SCHEMBL2968475 0.80 GPR174 (0.48) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL2019227 0.79 LMNA (0.42) MEN1KMT2AALDH1A1MAPTGAA

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 3566/4885ALDH1A1 2723/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MEN1 4571/4885KMT2A 3566/4885ALDH1A1 2723/4885

“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.