SCHEMBL3320696

SCHEMBL3320696

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(Br)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.68
KDM4E B2RXH2 7/20 0.67
ALDH1A1 P00352 6/20 0.67
HSD17B10 Q99714 5/20 0.67
HTT P42858 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
RAB9A P51151 1/20 0.67
HPGD P15428 3/20 0.63
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
POLB P06746 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
ADORA3 P0DMS8 2/20 0.61
CACNA1F O60840 3/20 0.56
CACNA1D Q01668 3/20 0.56
CACNA1S Q13698 3/20 0.56
CACNA1C Q13936 3/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 1/20 0.56
LMNA P02545 1/20 0.55

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
SCHEMBL3330194 0.92 ADORA3 (0.76) TSHRKDM4EALDH1A1HSD17B10HTT
SCHEMBL28735906 0.87 TSHR (0.54) TSHRKDM4EALDH1A1HSD17B10HTT
SCHEMBL7436006 0.87 TSHR (0.72) TSHRKDM4EALDH1A1HSD17B10HTT
SCHEMBL16137718 0.85 TSHR (0.70) TSHRKDM4EALDH1A1HSD17B10HTT
SCHEMBL7881093 0.85 ALDH1A1 (0.72) TSHRKDM4EALDH1A1HSD17B10HTT
SCHEMBL3017205 0.84 KDM4E (0.76) TSHRKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7879285 0.84 CACNA1F (0.76) TSHRKDM4EALDH1A1HSD17B10HTT
SCHEMBL10895180 0.84 CACNA1F (0.76) TSHRKDM4EALDH1A1HSD17B10HTT
SCHEMBL11817128 0.84 KDM4E (0.76) TSHRKDM4EALDH1A1HSD17B10HTT
SCHEMBL3030162 0.84 ALDH1A1 (0.59) TSHRKDM4EALDH1A1HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114516774-A Preparation method of chiral bromo-1, 4-dihydropyridine compound 中国科学院成都生物研究所 2022-05-20 CN 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
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 US disclosed
US-5559004-A Methods for screening compounds to determine calcium leak channel inhibition activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-09-24 US disclosed
US-5559004-A Methods for screening compounds to determine calcium leak channel inhibition activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-09-24 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-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION APP, MAPT, PSEN1 TSHR 4847/4885KDM4E 4115/4885ALDH1A1 2615/4885

“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.