SCHEMBL24554346

SCHEMBL24554346

CC(C)NC(=O)c1ccc(F)nc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.54
MLYCD O95822 1/20 0.51
EPHX2 P34913 1/20 0.50
HPGDS O60760 1/20 0.47
GABRA5 P31644 6/20 0.46
AURKA O14965 1/20 0.46
XDH P47989 2/20 0.46
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
CTSL P07711 1/20 0.44
CTSK P43235 1/20 0.44
FOLH1 Q04609 2/20 0.43

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
SCHEMBL26763421 1.00 GRM5 (0.54) GRM5MLYCDEPHX2HPGDSGABRA5
SCHEMBL5429490 0.81 HDAC1 (0.66) GRM5MLYCDHPGDSGABRA5XDH
SCHEMBL13164714 0.81 GRM5 (0.56) GRM5MLYCDHPGDSXDHALDH1A1
SCHEMBL19983089 0.80 BAZ2B (0.56) GRM5EPHX2KCNQ3KCNQ2
SCHEMBL22924505 0.80 GRM5 (0.51) GRM5MLYCDHPGDSGABRA5AURKA
SCHEMBL853202 0.79 HDAC1 (0.64) GRM5MLYCDEPHX2HPGDSGABRA5
SCHEMBL21401430 0.79 GRM5 (0.54) GRM5MLYCDHPGDSGABRA5XDH
SCHEMBL6870509 0.79 LMNA (0.60) GRM5ALDH1A1LMNA
SCHEMBL16495982 0.79 RXFP1 (0.61) GRM5GABRA5
SCHEMBL13702140 0.78 ERN1 (0.55) XDH

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-20220194930-A1 Matrix Metalloproteinase Inhibitors and Imaging Agents, And Methods Using Same UNIV YALE (US) 2022-06-23 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-20220194930-A1 Matrix Metalloproteinase Inhibitors and Imaging Agents, And Methods Using Same MMP3, MMP1, MMP10 GRM5 3464/4885MLYCD 3397/4885EPHX2 1177/4885

“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.