SCHEMBL2347474

SCHEMBL2347474

CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(N)cc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
ALDH1A1 P00352 8/20 0.53
CYP1A2 P05177 1/20 0.53
RAB9A P51151 3/20 0.51
NPC1 O15118 1/20 0.51
GLA P06280 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 2/20 0.49
AGTR1 P30556 1/20 0.49
KCNH2 Q12809 1/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.48
HSD17B10 Q99714 1/20 0.48
EPHX1 P07099 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
Hydrochloric Acid SCHEMBL2341599 0.99 EPHX2 (0.55) EPHX2NR1H4ALDH1A1CYP1A2RAB9A
SCHEMBL7292289 0.87 RAB9A (0.67) EPHX2NR1H4ALDH1A1CYP1A2RAB9A
SCHEMBL12458658 0.85 ALDH1A1 (0.51) ALDH1A1CYP1A2RAB9ANPC1GLA
SCHEMBL15149583 0.85 NR1H4 (0.56) EPHX2NR1H4ALDH1A1RAB9ANPC1
SCHEMBL17424340 0.84 ALDH1A1 (0.50) ALDH1A1CYP1A2RAB9ANPC1GLA
Hydrochloric Acid SCHEMBL2351162 0.84 ALDH1A1 (0.50) ALDH1A1CYP1A2RAB9ANPC1GLA
SCHEMBL11514103 0.84 ALDH1A1 (0.62) ALDH1A1RAB9ANPC1GLAATM
Hydrochloric Acid SCHEMBL2345835 0.83 ALDH1A1 (0.49) ALDH1A1CYP1A2RAB9ANPC1GLA
SCHEMBL17424339 0.83 ALDH1A1 (0.70) NR1H4ALDH1A1CYP1A2RAB9ANPC1
SCHEMBL2343610 0.83 NPC1 (0.74) ALDH1A1CYP1A2RAB9ANPC1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9968571-B2 Inhibitors and methods of inhibiting bacterial and viral pathogens SIGA TECHNOLOGIES, INC. (US) 2018-05-15 US disclosed
US-9968571-B2 Inhibitors and methods of inhibiting bacterial and viral pathogens SIGA TECHNOLOGIES, INC. (US) 2018-05-15 US disclosed
US-9968571-B2 Inhibitors and methods of inhibiting bacterial and viral pathogens SIGA TECHNOLOGIES, INC. (US) 2018-05-15 US disclosed
US-20170128393-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS SIGA TECHNOLOGIES, INC. (US) 2017-05-11 US disclosed
US-20170128393-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS SIGA TECHNOLOGIES, INC. (US) 2017-05-11 US disclosed
US-20170128393-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS SIGA TECHNOLOGIES, INC. (US) 2017-05-11 US disclosed
US-9566254-B2 Inhibitors and methods of inhibiting bacterial and viral pathogens SIGA TECHNOLOGIES, INC. (US) 2017-02-14 US disclosed
US-9566254-B2 Inhibitors and methods of inhibiting bacterial and viral pathogens SIGA TECHNOLOGIES, INC. (US) 2017-02-14 US disclosed
US-9566254-B2 Inhibitors and methods of inhibiting bacterial and viral pathogens SIGA TECHNOLOGIES, INC. (US) 2017-02-14 US disclosed
US-20160081950-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS SIGA TECHNOLOGIES, INC. (US) 2016-03-24 US disclosed
US-9233087-B2 Inhibitors and methods of inhibiting bacterial and viral pathogens SIGA TECHNOLOGIES, INC (US) 2016-01-12 US disclosed
US-9233087-B2 Inhibitors and methods of inhibiting bacterial and viral pathogens SIGA TECHNOLOGIES, INC (US) 2016-01-12 US disclosed
EP-2865668-A2 Inhibitors and methods of inhibiting bacterial and viral pathogens Siga Technologies, Inc. (US) 2015-04-29 EP disclosed
EP-2865668-A2 Inhibitors and methods of inhibiting bacterial and viral pathogens Siga Technologies, Inc. (US) 2015-04-29 EP disclosed
US-20130195796-A1 Inhibitors and Methods of Inhibiting Bacterial and Viral Pathogens SIGA TECHNOLOGIES INC. (US) 2013-08-01 US disclosed
US-20130195796-A1 Inhibitors and Methods of Inhibiting Bacterial and Viral Pathogens SIGA TECHNOLOGIES INC. (US) 2013-08-01 US disclosed
US-20130195796-A1 Inhibitors and Methods of Inhibiting Bacterial and Viral Pathogens SIGA TECHNOLOGIES INC. (US) 2013-08-01 US disclosed
EP-2536286-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS Siga Technologies, Inc. (US) 2012-12-26 EP disclosed
WO-2011103375-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS SIGA TECHNOLOGIES, INC. (US) 2011-08-25 WO disclosed
WO-2011103375-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS SIGA TECHNOLOGIES, INC. (US) 2011-08-25 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 (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-20130195796-A1 Inhibitors and Methods of Inhibiting Bacterial and Viral Pathogens TST, TPMT, EIF2AK2 EPHX2 3896/4885NR1H4 2157/4885ALDH1A1 3069/4885
US-20170128393-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS TST, TPMT, EIF2AK2 EPHX2 3896/4885NR1H4 2157/4885ALDH1A1 3069/4885
US-20160081950-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS TST, TPMT, EIF2AK2 EPHX2 3896/4885NR1H4 2157/4885ALDH1A1 3069/4885

“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.