SCHEMBL2348633

SCHEMBL2348633

CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.65
ALDH1A1 P00352 6/20 0.65
NPC1 O15118 6/20 0.65
RAB9A P51151 5/20 0.65
KMT2A Q03164 3/20 0.65
LMNA P02545 2/20 0.65
HPGD P15428 2/20 0.65
MAPT P10636 2/20 0.61
MEN1 O00255 2/20 0.61
ALOX12 P18054 2/20 0.61
NPSR1 Q6W5P4 1/20 0.59
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57

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
SCHEMBL14860028 0.96 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL2349578 0.86 KCNK3 (0.66) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL14859725 0.86 P2RX2 (0.60) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL2344887 0.85 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL14096435 0.85 KCNK9 (0.80) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL28329547 0.85 NPC1 (0.59) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL15149595 0.85 KCNK9 (0.56) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL3046207 0.84 SMN1; SMN2 (0.84) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL2349003 0.84 EPHX1 (0.73) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL14859813 0.84 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A

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-9968571-B2 Inhibitors and methods of inhibiting bacterial and viral pathogens SIGA TECHNOLOGIES, INC. (US) 2018-05-15 US claimed
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
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 SMN1; SMN2 4006/4885ALDH1A1 3069/4885NPC1 707/4885
US-20170128393-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS TST, TPMT, EIF2AK2 SMN1; SMN2 4006/4885ALDH1A1 3069/4885NPC1 707/4885
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 SMN1; SMN2 4357/4885ALDH1A1 1884/4885NPC1 1260/4885

“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.