SCHEMBL6705253

SCHEMBL6705253

COC(=O)c1ccc2c(=O)n3c(nc2c1)SC(CBr)C3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
HSD17B10 Q99714 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 5/20 0.47
TSHR P16473 2/20 0.47
PABPC1 P11940 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HTT P42858 2/20 0.44
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL6705257 1.00 ALDH1A1 (0.48) ALDH1A1HSD17B10MEN1KMT2AHPGD
SCHEMBL6702099 0.79 CYP1A1 (0.39) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL6703572 0.76 KDM4E (0.54) ALDH1A1HSD17B10MEN1KMT2AHPGD
SCHEMBL11928582 0.69 KMT2A (0.55) ALDH1A1HSD17B10MEN1KMT2AHPGD
SCHEMBL15818102 0.68 KDM4E (0.49) ALDH1A1HSD17B10MEN1KMT2AHPGD
SCHEMBL6804059 0.68 KMT2A (0.40) HSD17B10MEN1KMT2AKDM4ETSHR
SCHEMBL19132997 0.68 KDM4E (0.51) ALDH1A1HSD17B10TDP1KDM4ETSHR
SCHEMBL2118762 0.67 ALDH1A1 (0.55) ALDH1A1HSD17B10MEN1KMT2AHPGD
SCHEMBL2117475 0.66 ALDH1A1 (0.54) ALDH1A1HSD17B10MEN1KMT2AHPGD
SCHEMBL9770726 0.66 ALDH1A1 (0.56) ALDH1A1HSD17B10MEN1KMT2AHPGD

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-20040023953-A1 Tricylic mercaptomethyl-substituted 2,3-dihydro-quinazolin-5-ones and 2,3-dihydro-benzo-[1,2,4]-thiadiazin-5,5-dioxides as matrix metalloproteinase (MMP) inhibitors IBFB GMBH PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2004-02-05 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-20040023953-A1 Tricylic mercaptomethyl-substituted 2,3-dihydro-quinazolin-5-ones and 2,3-dihydro-benzo-[1,2,4]-thiadiazin-5,5-dioxides as matrix metalloproteinase (MMP) inhibitors TPSB2, MMP25, MMP15 ALDH1A1 356/4885HSD17B10 1305/4885MEN1 4607/4885

“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.