SCHEMBL18849230

SCHEMBL18849230

C=C(NCC)NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.55
▸ NR1H4 Q96RI1 8/20 0.55
▸ RAB9A P51151 5/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ HDAC1 Q13547 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50

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
SCHEMBL4402766 0.86 HDAC1 (0.62) EPHX2NR1H4RAB9ASMN1; SMN2NPC1
SCHEMBL2344164 0.81 ALDH1A1 (0.71) EPHX2NR1H4RAB9ASMN1; SMN2LMNA
SCHEMBL5690964 0.78 HDAC1 (0.72) EPHX2NR1H4RAB9ASMN1; SMN2NPC1
SCHEMBL14615882 0.76 RAB9A (0.68) EPHX2NR1H4RAB9ASMN1; SMN2NPC1
SCHEMBL10606216 0.75 EPHX2 (0.65) EPHX2NR1H4RAB9ASMN1; SMN2NPC1
SCHEMBL15149873 0.75 KCNK9 (0.60) EPHX2NR1H4RAB9ASMN1; SMN2NPC1
SCHEMBL24534543 0.75 HDAC1 (0.56) EPHX2NR1H4RAB9ASMN1; SMN2LMNA
SCHEMBL20100374 0.75 HDAC1 (0.56) EPHX2NR1H4RAB9ASMN1; SMN2NPC1
SCHEMBL24241673 0.74 RAB9A (0.57) EPHX2NR1H4RAB9ASMN1; SMN2NPC1
SCHEMBL5909057 0.74 CA12 (0.58) RAB9ANPC1LMNAL3MBTL1HPGD

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 2 patents. 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 disclosed
US-20170128393-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS SIGA TECHNOLOGIES, INC. (US) 2017-05-11 — — 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 (1 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-20170128393-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS TST, TPMT, EIF2AK2 EPHX2 3896/4885NR1H4 2157/4885RAB9A 2327/4885

“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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