SCHEMBL4829296

SCHEMBL4829296

COCCOc1nc(C)cc(OCC(F)(F)F)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 9/20 0.39
CFTR P13569 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR2 P34972 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MPI P34949 2/20 0.33
PHOSPHO1 Q8TCT1 2/20 0.33
PMM2 O15305 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1705478 0.90 CFTR (0.39) S1PR4CFTRCNR2HCRTR1HCRTR2
SCHEMBL6475032 0.83 MAPT (0.36) S1PR4CFTRMPIPHOSPHO1PMM2
SCHEMBL6472524 0.81 MPI (0.37) S1PR4CFTRNPC1CNR2MPI
SCHEMBL4829264 0.79 HSP90AA1 (0.41) CNR2HCRTR1HCRTR2CYP1A2CYP2C19
SCHEMBL4829348 0.75 S1PR4 (0.39) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4833523 0.74 TSHR (0.34) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1705138 0.73 CYP1A2 (0.38) SMN1; SMN2CNR2HCRTR1HCRTR2CYP1A2
SCHEMBL8808836 0.69 LMNA (0.46) SMN1; SMN2CYP3A4MAPTLMNA
SCHEMBL3715523 0.69 MPI (0.43) S1PR4CFTRSMN1; SMN2CYP3A4MPI
SCHEMBL15716302 0.67 NPC1 (0.46) S1PR4NPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1627875-B1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE OR SALT THEREOF KOWA CO (JP) 2013-07-31 EP disclosed
US-7459552-B2 Method for producing cyclic diamine derivative or salt thereof KOWA CO., LTD. (JP) 2008-12-02 US disclosed
US-20060293519-A1 Method for producing cyclic diamine derivative or salt thereof KOWA CO., LTD. (JP) 2006-12-28 US disclosed
EP-1627875-A1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE OR SALT THEREOF Kowa Co., Ltd. (JP) 2006-02-22 EP 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-20060293519-A1 Method for producing cyclic diamine derivative or salt thereof NNT, APRT, SAT1 S1PR4 1248/4885CFTR 4144/4885NPC1 1124/4885

“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.