SCHEMBL2968475

SCHEMBL2968475

C=C(C)COc1ccc(Sc2ccc(NC(C)=O)cc2)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 1/20 0.48
MAPT P10636 8/20 0.43
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 7/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 3/20 0.42
RAB9A P51151 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
AHR P35869 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 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
SCHEMBL2969123 0.85 ALDH1A1 (0.47) MAPTLMNATDP1MEN1CYP1A2
SCHEMBL2019227 0.83 LMNA (0.42) MAPTLMNATDP1MEN1CYP1A2
SCHEMBL2968592 0.82 MEN1 (0.51) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL2963008 0.81 KDM4E (0.48) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL2964875 0.80 MEN1 (0.48) MAPTLMNATDP1MEN1CYP1A2
SCHEMBL2970843 0.79 KMT2A (0.50) MAPTLMNATDP1MEN1CYP1A2
SCHEMBL2957105 0.79 MAPT (0.52) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL2021283 0.79 MAOB (0.48) MAPTLMNATDP1MEN1KMT2A
SCHEMBL3048962 0.78 GPR174 (0.72) GPR174MAPTLMNATDP1MEN1
SCHEMBL2964251 0.78 MTNR1A (0.48) LMNAMEN1KMT2AALDH1A1RAB9A

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 GPR174 4781/4885MAPT 1347/4885LMNA 3252/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 GPR174 4781/4885MAPT 1347/4885LMNA 3252/4885

“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.