SCHEMBL256672

SCHEMBL256672

CCc1ccc(C#Cc2ccc(C)cc2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
KCNH2 Q12809 3/20 0.37
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA1 P00915 1/20 0.37
FFAR1 O14842 2/20 0.37
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAPT P10636 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
HTT P42858 2/20 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
SCHEMBL256660 0.84 KCNH2 (0.39) GRM5KCNH2ALDH1A1LMNAL3MBTL1
SCHEMBL10254253 0.84 MEN1 (0.39) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL22779054 0.80 CHRM2 (0.39) GRM5KCNH2CA12CA2CA9
SCHEMBL21258286 0.79 ALDH1A1 (0.47) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL22779158 0.78 CHRM2 (0.43) GRM5KCNH2SMN1; SMN2
SCHEMBL2110164 0.74 CA12 (0.43) GRM5KCNH2CA12CA2CA9
SCHEMBL9967728 0.73 GRM5 (0.40) GRM5KCNH2CA12CA2CA9
SCHEMBL4457730 0.71 GRM5 (0.64) GRM5KCNH2CA12CA2CA9
SCHEMBL9445826 0.71 GRM5 (0.64) GRM5KCNH2CA12CA2CA9
SCHEMBL2110165 0.70 CA12 (0.40) GRM5KCNH2CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392096-A1 COMPOUND ACTING AS ANTIBIOTICS KBP BIOSCIENCES CO., LTD. (CN) 2020-12-17 US disclosed
WO-2012028578-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER CROPSCIENCE AG (DE) 2012-03-08 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-20200392096-A1 COMPOUND ACTING AS ANTIBIOTICS PEPD, NRDC, DPP4 GRM5 4120/4885KCNH2 3488/4885CA12 2988/4885

“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.