SCHEMBL9949786

SCHEMBL9949786

O=C(O)N[C@H]1CC[C@H](Oc2nc(Cl)cc(Cl)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.44
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 11/20 0.38
FAAH O00519 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
AR P10275 1/20 0.36
S1PR2 O95136 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
RAF1 P04049 1/20 0.35
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 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
SCHEMBL9949790 1.00 LDHA (0.44) LDHARAB9ATDP1EPHX2FAAH
SCHEMBL17818355 0.83 LMNA (0.43) LDHARAB9ATDP1EPHX2FAAH
SCHEMBL10154247 0.82 CACNB4 (0.49) LDHAEPHX2KMT2ARAF1PARP1
SCHEMBL13247062 0.80 LDHA (0.41) LDHARAB9ATDP1EPHX2FAAH
SCHEMBL20357270 0.77 EPHX2 (0.47) LDHAEPHX2FAAHGAAAR
SCHEMBL20357347 0.75 AR (0.45) EPHX2FAAHARRAF1TNKS
SCHEMBL29861506 0.72 RAB9A (0.35) LDHARAB9AEPHX2GAAKMT2A
SCHEMBL27002902 0.72 RAB9A (0.35) LDHARAB9AEPHX2GAAKMT2A
SCHEMBL16494965 0.71 PTGS1 (0.32)
SCHEMBL14630694 0.70 EPHX2 (0.58) RAB9AEPHX2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA LDHA 4103/4885RAB9A 1891/4885TDP1 4159/4885

“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.