SCHEMBL21130461

SCHEMBL21130461

COc1nc2cc(C(F)(F)F)c(Cl)cc2n1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.38
GRM2 Q14416 1/20 0.38
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
LRRK2 Q5S007 1/20 0.34
KDR P35968 1/20 0.34
ACACB O00763 1/20 0.33
NOTUM Q6P988 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
PLA2G7 Q13093 1/20 0.32
CNR2 P34972 1/20 0.32
COMT P21964 1/20 0.32
DCTPP1 Q9H773 1/20 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 0.81 SMN1; SMN2 (0.44) HSD11B1GRM2HCRTR1HCRTR2RAF1
SCHEMBL19899486 0.79 HCRTR1 (0.39) HSD11B1GRM2HCRTR1HCRTR2RAF1
SCHEMBL16806050 0.74 KDM4E (0.47) HSD11B1HCRTR1HCRTR2NOTUMALOX15
SCHEMBL21066391 0.68 KDR (0.37) HSD11B1HCRTR1HCRTR2RAF1BRAF
SCHEMBL11810252 0.68 KDM4E (0.49) HTTDCTPP1
SCHEMBL18031590 0.66 ALDH1A1 (0.38) RAF1BRAF
SCHEMBL463566 0.64 GLP1R (0.40) KDRNOTUM
SCHEMBL9814421 0.64 NOTUM (0.32) NOTUM
SCHEMBL23062823 0.64 MTNR1A (0.40) MTNR1AMTNR1B
SCHEMBL15112680 0.64 MAPT (0.55) MTNR1AMTNR1BACACBALOX15HTT

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-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 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-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 HSD11B1 838/4885GRM2 4139/4885HCRTR1 3751/4885

“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.