SCHEMBL30440258

SCHEMBL30440258

COc1ccc2nccc(-c3ccccc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.57
KDM4E B2RXH2 3/20 0.57
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
LMNA P02545 1/20 0.56
KCNH2 Q12809 1/20 0.53
GRM4 Q14833 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTR1A P08908 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
TLR8 Q9NR97 2/20 0.49
EGFR P00533 2/20 0.49
BCHE P06276 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL9159084 0.88 GRM4 (0.67) KDM4EKCNH2GRM4SMN1; SMN2HTR1A
SCHEMBL10157305 0.88 PIK3CA (0.57) PIK3CAKDM4EMAPK1NPSR1LMNA
Ethoxycarbonyl Group SCHEMBL28608280 0.86 KDM4E (0.51) PIK3CAKDM4EMAPK1NPSR1LMNA
SCHEMBL7665284 0.81 BMP4 (0.61) KDM4ENPSR1LMNAKCNH2GRM4
SCHEMBL30251801 0.81 BMP4 (0.61) KDM4ENPSR1LMNAKCNH2GRM4
SCHEMBL27606458 0.81 KDM4E (0.53) KDM4EMAPK1NPSR1LMNAMEN1
SCHEMBL30440566 0.81 GRM4 (0.56) PIK3CAKDM4EMAPK1NPSR1GRM4
SCHEMBL27290306 0.80 CLK4 (0.53) MAPK1KCNH2GRM4KMT2ATLR8
SCHEMBL28295741 0.80 TLR8 (0.51) PIK3CAKDM4EMAPK1NPSR1LMNA
SCHEMBL2051073 0.80 MAP3K14 (0.57) KDM4EMAPK1NPSR1LMNAKCNH2

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-20230183179-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF CRESCENTA BIOSCIENCES (US) 2023-06-15 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-20230183179-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF FABP4, FABP1, FABP3 PIK3CA 3770/4885KDM4E 2557/4885MAPK1 2881/4885

“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.