SCHEMBL2176775

SCHEMBL2176775

Cc1c(Cn2ccc(OCCc3cccs3)cc2=O)cccc1NCC(=O)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.37
CCR4 P51679 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
MCHR1 Q99705 1/20 0.37
KMT2A Q03164 1/20 0.35
GAA P10253 3/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
FKBP1A P62942 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL2174961 0.94 CCR4 (0.38) CYP2D6CCR4MCHR1NPC1ALDH1A1
SCHEMBL2175778 0.93 CYP2D6 (0.38) CYP2D6CCR4MCHR1KMT2ANPC1
SCHEMBL2175792 0.93 CCR4 (0.43) CYP2D6CCR4MCHR1GAAALDH1A1
SCHEMBL2178339 0.87 CCR4 (0.38) CCR4MCHR1NPC1ALDH1A1SMN1; SMN2
SCHEMBL2177786 0.86 CCR4 (0.37) CCR4MCHR1GAANPC1ALDH1A1
SCHEMBL2177400 0.86 CCR4 (0.40) CCR4MCHR1ALDH1A1CYP2C19
SCHEMBL2176613 0.85 CCR4 (0.36) CYP2D6CCR4MCHR1MAPTTP53
SCHEMBL2178011 0.83 CCR4 (0.38) CCR4MCHR1NPC1ALDH1A1SMN1; SMN2
SCHEMBL2174575 0.83 MTNR1A (0.38) CCR4NPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2175710 0.82 MAPT (0.40) CCR4KMT2ANPC1ALDH1A1SMN1; SMN2

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
EP-1948601-B1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS INC (KR) 2016-04-13 EP claimed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US claimed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US claimed
EP-1948601-B1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS INC (KR) 2016-04-13 EP disclosed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 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-20070135465-A1 Fab I Inhibitor and Process for Preparing Same TFPI, TFPI2, FCGRT CYP2D6 3210/4885CCR4 4278/4885CD274 1817/4885

“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.