SCHEMBL2344164

SCHEMBL2344164

CCNC(=S)NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.71
▸ LMNA P02545 3/20 0.71
▸ SMN1; SMN2 Q16637 3/20 0.69
▸ RAB9A P51151 3/20 0.69
▸ HTT P42858 3/20 0.69
▸ MAPT P10636 2/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ ALOX12 P18054 2/20 0.59
▸ GAA P10253 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ ALPL P05186 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MCOLN3 Q8TDD5 1/20 0.52
▸ SIRT1 Q96EB6 3/20 0.52
▸ HDAC1 Q13547 1/20 0.51
▸ EPHX2 P34913 1/20 0.51
▸ NR1H4 Q96RI1 1/20 0.51
▸ SIRT2 Q8IXJ6 2/20 0.51

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
SCHEMBL14860324 0.84 ALDH1A1 (0.69) ALDH1A1LMNASMN1; SMN2RAB9AHTT
SCHEMBL4402766 0.83 HDAC1 (0.62) ALDH1A1LMNASMN1; SMN2RAB9AHTT
SCHEMBL2348030 0.81 ALDH1A1 (0.68) ALDH1A1LMNASMN1; SMN2MAPTMEN1
Ammonia Solution, Strong SCHEMBL29260484 0.81 ALDH1A1 (0.68) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL18849230 0.81 EPHX2 (0.55) ALDH1A1LMNASMN1; SMN2RAB9AHTT
SCHEMBL14860134 0.81 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2RAB9AHTT
SCHEMBL14859651 0.81 ALDH1A1 (0.64) ALDH1A1LMNASMN1; SMN2RAB9AHTT
SCHEMBL12067878 0.80 MEN1 (0.73) ALDH1A1LMNASMN1; SMN2RAB9AHTT
SCHEMBL14859859 0.80 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2RAB9AHTT
SCHEMBL14879105 0.80 ALDH1A1 (0.64) ALDH1A1LMNASMN1; SMN2RAB9AHTT

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 26 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-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

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-20130195796-A1 Inhibitors and Methods of Inhibiting Bacterial and Viral Pathogens TST, TPMT, EIF2AK2 ALDH1A1 3069/4885LMNA 4633/4885SMN1; SMN2 4006/4885
US-20170128393-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS TST, TPMT, EIF2AK2 ALDH1A1 3069/4885LMNA 4633/4885SMN1; SMN2 4006/4885

“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.

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