Sugi Predict

Sugi Predict / Compounds / SCHEMBL3245063

SCHEMBL3245063

SCHEMBL3245063

CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2Br)C2=C(CCCC2=O)N1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.73
▸ LMNA P02545 1/20 0.73
▸ KDM4E B2RXH2 14/20 0.55
▸ ALDH1A1 P00352 11/20 0.55
▸ HSD17B10 Q99714 10/20 0.55
▸ HPGD P15428 6/20 0.55
▸ CASP1 P29466 4/20 0.55
▸ CASP7 P55210 3/20 0.55
▸ BAP1 Q92560 1/20 0.55
▸ TSHR P16473 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ GLA P06280 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ USP2 O75604 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ POLB P06746 1/20 0.51

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
SCHEMBL4254529 0.91 SMN1; SMN2 (0.62) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL12135800 0.89 LMNA (0.73) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL2998553 0.88 SMN1; SMN2 (0.72) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL3249005 0.88 LMNA (0.72) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL2992233 0.87 SMN1; SMN2 (0.77) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL3324973 0.86 ALDH1A1 (0.70) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL3323573 0.86 KDM4E (0.73) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL3327812 0.85 MAPK1 (0.70) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL3325556 0.84 LMNA (0.68) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL16211041 0.84 SMN1; SMN2 (0.73) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 — — US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 — — US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 — — US disclosed
WO-2010002483-A1 OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2010-01-07 — — 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-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION APP, MAPT, PSEN1 SMN1; SMN2 1086/4885LMNA 910/4885KDM4E 4115/4885

“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.