SCHEMBL19899486

SCHEMBL19899486

Cn1c(O)nc2cc(C(F)(F)F)c(Cl)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
COMT P21964 1/20 0.39
HSD11B1 P28845 5/20 0.35
LRRK2 Q5S007 1/20 0.35
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
NOTUM Q6P988 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
RHEB Q15382 1/20 0.32
AR P10275 1/20 0.32
GRM2 Q14416 2/20 0.32

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
SCHEMBL19899557 0.84 SMN1; SMN2 (0.44) HCRTR1HCRTR2COMTHSD11B1LRRK2
SCHEMBL24978832 0.81 ESRRA (0.36) ALOX15HTTIRAK4
SCHEMBL21130461 0.79 HSD11B1 (0.38) HCRTR1HCRTR2COMTHSD11B1LRRK2
SCHEMBL16806050 0.76 KDM4E (0.47) HCRTR1HCRTR2COMTHSD11B1ALOX15
SCHEMBL24978826 0.74 IRAK4 (0.30) IRAK4
SCHEMBL2711203 0.71 PKM (0.49) GRM2
SCHEMBL21066391 0.70 KDR (0.37) HCRTR1HCRTR2HSD11B1LRRK2NOTUM
SCHEMBL11810252 0.70 KDM4E (0.49) HTT
SCHEMBL12413060 0.69 GLP1R (0.38)
SCHEMBL9814421 0.69 NOTUM (0.32) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
EP-3500567-A1 ANTIBIOTIC COMPOUNDS Discuva Ltd. (GB) 2019-06-26 EP disclosed
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 WO disclosed
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 WO 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-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 HCRTR1 3751/4885HCRTR2 4464/4885COMT 3274/4885

“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.