SCHEMBL1893507

SCHEMBL1893507

CCC(N(NC(=O)c1ccc(C(C)C)cc1)C(N)=O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
NPC1 O15118 4/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL1892945 0.86 HPGD (0.41) HPGDRAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL1896474 0.86 ABCB1 (0.41) HPGDRAB9ASMN1; SMN2SCN5ASCN2A
SCHEMBL1890093 0.85 OGG1 (0.44) HPGDRAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL2283655 0.85 HPGD (0.56) HPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL1896305 0.81 MAPT (0.43) HPGDRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1893958 0.81 MEN1 (0.46) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1897733 0.78 ABCB1 (0.44) LMNA
SCHEMBL1899877 0.72 LMNA (0.36) HPGDSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1896955 0.71 MEN1 (0.46) HPGDRAB9AMEN1KMT2ASCN5A
SCHEMBL13006679 0.68 HPGD (0.55) HPGDRAB9ASMN1; SMN2MEN1KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664274-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arena viruses SIGA TECHNOLOGIES, INC. (US) 2014-03-04 US claimed
US-8658697-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES, INC. (US) 2014-02-25 US claimed
US-20130261087-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENA VIRUSES SIGA TECHNOLOGIES INC. (US) 2013-10-03 US claimed
US-7994221-B2 Sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES, INC. (US) 2011-08-09 US claimed
US-20110118505-A1 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES INC. (US) 2011-05-19 US claimed
US-20100256096-A1 Sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES, INC. 2010-10-07 US claimed
US-8664274-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arena viruses SIGA TECHNOLOGIES, INC. (US) 2014-03-04 US disclosed
US-8658697-B2 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES, INC. (US) 2014-02-25 US disclosed
US-20130261087-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENA VIRUSES SIGA TECHNOLOGIES INC. (US) 2013-10-03 US disclosed
US-7994221-B2 Sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES, INC. (US) 2011-08-09 US disclosed
US-20110118505-A1 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES INC. (US) 2011-05-19 US disclosed
US-20100256096-A1 Sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SIGA TECHNOLOGIES, INC. 2010-10-07 US 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-20110118505-A1 Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses SORD, GBA1, GK HPGD 3509/4885RAB9A 2498/4885SMN1; SMN2 1541/4885
US-20100256096-A1 Sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses GBA1, SORD, GK HPGD 3563/4885RAB9A 2103/4885SMN1; SMN2 1267/4885
US-20130261087-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENA VIRUSES SORD, GBA1, GK HPGD 3490/4885RAB9A 2483/4885SMN1; SMN2 1553/4885

“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.