SCHEMBL2347796

SCHEMBL2347796

COc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
KMT2A Q03164 2/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA9 Q16790 1/20 0.67
MAPT P10636 6/20 0.65
MEN1 O00255 1/20 0.65
SMN1; SMN2 Q16637 4/20 0.63
LMNA P02545 4/20 0.63
MAPK1 P28482 1/20 0.63
SIRT1 Q96EB6 4/20 0.61
SIRT2 Q8IXJ6 5/20 0.60
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
KDM4E B2RXH2 1/20 0.59
TP53 P04637 2/20 0.59
NPC1 O15118 1/20 0.59
ALOX15 P16050 1/20 0.59
RAB9A P51151 1/20 0.59
SIRT3 Q9NTG7 1/20 0.58

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
SCHEMBL28563499 0.97 MAPK1 (0.67) ALDH1A1KMT2ACA1CA2CA9
SCHEMBL16587385 0.92 ALDH1A1 (0.78) ALDH1A1KMT2ACA1CA2CA9
SCHEMBL12067341 0.90 SIRT1 (0.71) ALDH1A1MAPTSMN1; SMN2LMNASIRT1
SCHEMBL13454680 0.89 ALDH1A1 (0.67) ALDH1A1KMT2ACA1CA2CA9
SCHEMBL14096555 0.88 SIRT1 (0.62) ALDH1A1KMT2ACA1CA2MAPT
SCHEMBL28662121 0.87 SIRT1 (0.68) ALDH1A1MAPTSMN1; SMN2LMNASIRT1
SCHEMBL28670091 0.87 SIRT1 (0.59) ALDH1A1KMT2ACA1CA2CA9
SCHEMBL5445748 0.86 NPC1 (0.73) ALDH1A1KMT2ACA1CA2CA9
SCHEMBL14096501 0.86 ALDH1A1 (0.70) ALDH1A1KMT2ACA1CA2CA9
SCHEMBL14860277 0.86 MAPT (0.62) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2

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
EP-2865668-A2 Inhibitors and methods of inhibiting bacterial and viral pathogens Siga Technologies, Inc. (US) 2015-04-29 EP claimed
US-20130195796-A1 Inhibitors and Methods of Inhibiting Bacterial and Viral Pathogens SIGA TECHNOLOGIES INC. (US) 2013-08-01 US claimed
EP-2536286-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS Siga Technologies, Inc. (US) 2012-12-26 EP claimed
WO-2011103375-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS SIGA TECHNOLOGIES, INC. (US) 2011-08-25 WO claimed
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-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
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
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

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 ALDH1A1 3069/4885KMT2A 2003/4885CA1 2658/4885
US-20170128393-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS TST, TPMT, EIF2AK2 ALDH1A1 3069/4885KMT2A 2003/4885CA1 2658/4885
US-20160081950-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS TST, TPMT, EIF2AK2 ALDH1A1 3069/4885KMT2A 2003/4885CA1 2658/4885

“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.