SCHEMBL21940698

SCHEMBL21940698

Cc1ccc2ccc(C(N)=O)cc2c1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.47
LCK P06239 1/20 0.42
PARP1 P09874 1/20 0.40
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 2/20 0.38
BRD4 O60885 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL15651748 0.75 ERN1 (0.50) ERN1LCKPARP1ALDH1A1BRD4
SCHEMBL3268690 0.75 CYP2A6 (0.48) ERN1ALDH1A1MAPTTDP1
SCHEMBL23909600 0.75 LCK (0.43) LCKPARP1PTPN1ALDH1A1BRD4
SCHEMBL21871911 0.75 LCK (0.43) LCKPARP1PTPN1PRSS1PRSS2
SCHEMBL21940612 0.74 LCK (0.42) LCKPARP1ALDH1A1PRSS1PRSS2
SCHEMBL3267728 0.73 ERN1 (0.43) ERN1PTPN1ALDH1A1MAPT
SCHEMBL3273914 0.73 LMNA (0.43) ERN1PTPN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3208908 0.71 RAF1 (0.41) ERN1PARP1ALDH1A1BRD4BRD9
SCHEMBL19873094 0.71 ERN1 (0.57) ERN1LCKPTPN1ALDH1A1MAPT
SCHEMBL18904700 0.71 ERN1 (0.56) ERN1LCKALDH1A1TDP1

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-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 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-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 ERN1 1181/4885LCK 2579/4885PARP1 4171/4885

“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.