SCHEMBL2019227

SCHEMBL2019227

CC(=O)Nc1ccc(Sc2ccc(OCC#N)cc2N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 6/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 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
SCHEMBL2969123 0.84 ALDH1A1 (0.47) LMNATDP1MEN1KMT2ACYP1A2
SCHEMBL2960977 0.83 RAB9A (0.44) LMNATDP1MEN1KMT2ACYP1A2
SCHEMBL2968475 0.83 GPR174 (0.48) LMNATDP1MEN1KMT2ACYP1A2
SCHEMBL2968592 0.81 MEN1 (0.51) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL2963008 0.80 KDM4E (0.48) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL2964875 0.79 MEN1 (0.48) LMNATDP1MEN1KMT2ACYP1A2
SCHEMBL2957105 0.78 MAPT (0.52) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL2970843 0.78 KMT2A (0.50) LMNATDP1MEN1KMT2ACYP1A2
SCHEMBL2021283 0.78 MAOB (0.48) LMNATDP1MEN1KMT2AMAPT
SCHEMBL2964251 0.77 MTNR1A (0.48) LMNAMEN1KMT2AALDH1A1KDM4E

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 9 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-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 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-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO 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 (3 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 LMNA 3252/4885TDP1 4336/4885MEN1 4571/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 LMNA 3252/4885TDP1 4336/4885MEN1 4571/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 LMNA 3252/4885TDP1 4336/4885MEN1 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.