SCHEMBL1422431

SCHEMBL1422431

COc1cc(SC)ccc1-c1nnc(-c2cccnc2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
MAPK1 P28482 3/20 0.60
HSD17B10 Q99714 3/20 0.60
POLB P06746 2/20 0.60
HTT P42858 1/20 0.60
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
ALDH1A1 P00352 5/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 2/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44

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
Trifluoroacetic Acid SCHEMBL3627828 0.90 KDM4E (0.50) KDM4EMAPK1HSD17B10POLBHTT
SCHEMBL1422536 0.84 KDM4E (0.69) KDM4EMAPK1HSD17B10POLBHTT
SCHEMBL8057350 0.81 KDM4E (0.67) KDM4EMAPK1HSD17B10POLBHTT
SCHEMBL1423179 0.81 NPC1 (0.64) KDM4EMAPK1HSD17B10POLBHTT
SCHEMBL1423042 0.79 NPC1 (0.69) KDM4EMAPK1HSD17B10POLBHTT
SCHEMBL1423147 0.77 KDM4E (0.69) KDM4EMAPK1HSD17B10POLBHTT
SCHEMBL1423119 0.76 MAPK1 (1.00) KDM4EMAPK1HSD17B10POLBHTT
SCHEMBL26730550 0.76 MAPK1 (1.00) KDM4EMAPK1HSD17B10POLBHTT
SCHEMBL1422659 0.76 KDM4E (0.67) KDM4EMAPK1HSD17B10POLBHTT
SCHEMBL1422886 0.75 MAPK1 (0.70) KDM4EMAPK1HSD17B10POLBHTT

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBVIE INC (US) 2016-01-28 US claimed
EP-2974727-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbvie Inc. (US) 2016-01-20 EP claimed
EP-2226074-B1 Pharmaceutical compositions and their methods of use ABBVIE INC (US) 2015-11-04 EP claimed
EP-2101763-B1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LAB (US) 2012-07-18 EP claimed
EP-2226074-A2 Pharmaceutical compositions and their methods of use Abbott Laboratories (US) 2010-09-08 EP claimed
EP-2146985-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE Abbott Laboratories (US) 2010-01-27 EP claimed
EP-2101763-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-09-23 EP claimed
WO-2008127464-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-10-23 WO claimed
US-20080255203-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-10-16 US claimed
US-20080167286-A1 Pharmaceutical compositions and their methods of use ABBOTT LABORATORIES (US) 2008-07-10 US claimed
WO-2008073942-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-19 WO claimed
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBVIE INC (US) 2016-01-28 US disclosed
EP-2974727-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbvie Inc. (US) 2016-01-20 EP disclosed
US-9186407-B2 Pharmaceutical compositions and their methods of use ABBVIE INC. (US) 2015-11-17 US disclosed
EP-2226074-B1 Pharmaceutical compositions and their methods of use ABBVIE INC (US) 2015-11-04 EP disclosed
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-30 US disclosed
WO-2008127464-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-10-23 WO disclosed
US-20080255203-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-10-16 US disclosed
US-20080167286-A1 Pharmaceutical compositions and their methods of use ABBOTT LABORATORIES (US) 2008-07-10 US disclosed
WO-2008073942-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-19 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 (4 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-20080255203-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE CYP11B2, AADAC, CYP11B1 KDM4E 3588/4885MAPK1 3835/4885HSD17B10 286/4885
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof OXA1L, CYP11B2, CYP1B1 KDM4E 2438/4885MAPK1 3400/4885HSD17B10 284/4885
US-20080167286-A1 Pharmaceutical compositions and their methods of use CHRNA4, CHRNB4, CHRNA5 KDM4E 1022/4885MAPK1 4428/4885HSD17B10 3300/4885
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE CHRNA4, CHRNB4, CHRNA5 KDM4E 1022/4885MAPK1 4428/4885HSD17B10 3300/4885

“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.