SCHEMBL2349003

SCHEMBL2349003

CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.73
ALDH1A1 P00352 6/20 0.70
RAB9A P51151 4/20 0.70
NPC1 O15118 3/20 0.70
KMT2A Q03164 2/20 0.70
MEN1 O00255 1/20 0.70
SIRT1 Q96EB6 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
NPSR1 Q6W5P4 2/20 0.61
HPGD P15428 1/20 0.61
ALOX12 P18054 1/20 0.61
PKM P14618 1/20 0.61
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
SIRT2 Q8IXJ6 3/20 0.60
KCNK9 Q9NPC2 1/20 0.60
MIF P14174 1/20 0.59

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
SCHEMBL2346064 0.94 EPHX1 (0.66) EPHX1ALDH1A1RAB9ANPC1KMT2A
SCHEMBL2345780 0.93 EPHX1 (0.68) EPHX1ALDH1A1RAB9ANPC1KMT2A
SCHEMBL12067341 0.92 SIRT1 (0.71) EPHX1ALDH1A1SIRT1SMN1; SMN2LMNA
SCHEMBL12940302 0.90 SIRT1 (0.65) EPHX1ALDH1A1RAB9ANPC1KMT2A
SCHEMBL28662121 0.89 SIRT1 (0.68) ALDH1A1RAB9ANPC1SIRT1SMN1; SMN2
SCHEMBL14096435 0.89 KCNK9 (0.80) EPHX1ALDH1A1RAB9ANPC1KMT2A
SCHEMBL14859813 0.88 ALDH1A1 (0.67) EPHX1ALDH1A1RAB9ANPC1KMT2A
SCHEMBL17066573 0.87 GPR55 (0.77) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL907582 0.87 SIRT1 (0.65) ALDH1A1SIRT1SMN1; SMN2LMNAMAPT
SCHEMBL16677197 0.87 MIF (0.66) ALDH1A1SIRT1SMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170128393-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS SIGA TECHNOLOGIES, INC. (US) 2017-05-11 US claimed
US-20130195796-A1 Inhibitors and Methods of Inhibiting Bacterial and Viral Pathogens SIGA TECHNOLOGIES INC. (US) 2013-08-01 US claimed
EP-2583962-A2 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT Avixgen Inc. (KR) 2013-04-24 EP claimed
US-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT AVIXGEN INC. (KR) 2013-04-18 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-20130195796-A1 Inhibitors and Methods of Inhibiting Bacterial and Viral Pathogens SIGA TECHNOLOGIES INC. (US) 2013-08-01 US disclosed
EP-2583962-A2 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT Avixgen Inc. (KR) 2013-04-24 EP disclosed
US-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT AVIXGEN INC. (KR) 2013-04-18 US disclosed
US-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT AVIXGEN INC. (KR) 2013-04-18 US disclosed
US-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT AVIXGEN INC. (KR) 2013-04-18 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 EPHX1 3446/4885ALDH1A1 3069/4885RAB9A 2327/4885
US-20170128393-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS TST, TPMT, EIF2AK2 EPHX1 3446/4885ALDH1A1 3069/4885RAB9A 2327/4885
US-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT UGP2, TPMT, UPP1 EPHX1 2152/4885ALDH1A1 1884/4885RAB9A 2456/4885

“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.