SCHEMBL7603312

SCHEMBL7603312

O=C(COC(=O)C1CCCC1)c1cccc2c(Br)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 6/20 0.44
TSHR P16473 1/20 0.44
MDM2 Q00987 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.41
PRNP P04156 1/20 0.40
ATM Q13315 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4835943 0.77 LMNA (0.51) NPC1L3MBTL1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL7614447 0.74 UCHL1 (0.52) NPC1ALDH1A1TSHRKMT2AMEN1
SCHEMBL749354 0.72 FKBP1A (0.42) NPC1L3MBTL1HTTRAB9ASMN1; SMN2
SCHEMBL15746272 0.72 ALDH1A1 (0.64) NPC1L3MBTL1RAB9AALDH1A1TSHR
SCHEMBL17281354 0.71 ALDH1A1 (0.63) NPC1L3MBTL1HTTRAB9ASMN1; SMN2
SCHEMBL17212624 0.71 ALDH1A1 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL4837018 0.70 PRNP (0.54) HTTALDH1A1TSHRTDP1KMT2A
SCHEMBL4519224 0.70 PTPN1 (0.65) ALDH1A1TSHRTDP1KMT2APRNP
SCHEMBL4637935 0.70 RAB9A (0.58) NPC1L3MBTL1HTTRAB9ASMN1; SMN2
SCHEMBL19339818 0.69 LMNA (0.55) L3MBTL1SMN1; SMN2ALDH1A1KMT2APRNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 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 (4 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-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 NPC1 119/4885L3MBTL1 3448/4885HTT 3674/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 NPC1 122/4885L3MBTL1 3523/4885HTT 3798/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 NPC1 122/4885L3MBTL1 3523/4885HTT 3798/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 NPC1 122/4885L3MBTL1 3523/4885HTT 3798/4885

“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.