SCHEMBL31248091

SCHEMBL31248091

CCCn1c(-c2cccc(C(=O)OC)c2)nc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
KDM4E B2RXH2 3/20 0.57
TSHR P16473 3/20 0.57
ALDH1A1 P00352 2/20 0.57
GAA P10253 2/20 0.57
LMNA P02545 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
PTGER4 P35408 6/20 0.56
TP53 P04637 2/20 0.56
DRD2 P14416 1/20 0.53
TBXA2R P21731 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RECQL P46063 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAP3K7 O43318 1/20 0.52
HPGD P15428 2/20 0.51
OPRK1 P41145 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL28605584 1.00 MAPT (0.62) MAPTKDM4ETSHRALDH1A1GAA
SCHEMBL31247978 0.93 TP53 (0.63) MAPTKDM4ETSHRALDH1A1GAA
SCHEMBL28610296 0.91 PTGER4 (0.67) MAPTKDM4ETSHRALDH1A1GAA
SCHEMBL28600078 0.87 DRD2 (0.69) MAPTKDM4ETSHRALDH1A1GAA
SCHEMBL31472964 0.86 MAPT (0.65) MAPTKDM4ETSHRALDH1A1GAA
SCHEMBL28608855 0.86 MAPT (0.65) MAPTKDM4ETSHRALDH1A1GAA
SCHEMBL9663682 0.85 PTGER4 (0.62) KDM4ETSHRALDH1A1GAALMNA
SCHEMBL28609161 0.84 HDAC1 (0.57) MAPTKDM4ETSHRALDH1A1GAA
SCHEMBL14785734 0.83 MAPT (0.82) MAPTKDM4ETSHRALDH1A1GAA
SCHEMBL28597103 0.81 DRD2 (0.66) KDM4ETSHRALDH1A1GAALMNA

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-12098134-B2 Benzo-heterocyclic compound and composition for preventing or treating cancer disease, containing same as active ingredient INDUSTRY ACADEMIC COOPERATION FOUNDATION KEIMYUNG UNIVERSITY (KR) 2024-09-24 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-12098134-B2 Benzo-heterocyclic compound and composition for preventing or treating cancer disease, containing same as active ingredient VHL, BRCA1, BRD1 MAPT 2805/4885KDM4E 794/4885TSHR 4493/4885

“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.