SCHEMBL6703570

SCHEMBL6703570

O=c1c2ccccc2nc2n1CC(CBr)S2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 9/20 0.49
LMNA P02545 4/20 0.49
HPGD P15428 4/20 0.43
ACHE P22303 3/20 0.43
BCHE P06276 2/20 0.43
HSD17B10 Q99714 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CFTR P13569 1/20 0.43
ALOX15 P16050 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
GOPC Q9HD26 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL6703572 1.00 KDM4E (0.54) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL6701095 0.86 ALDH1A1 (0.49) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL6804691 0.86 ALDH1A1 (0.49) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL6804689 0.86 ALDH1A1 (0.49) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL7000926 0.82 CYP1A1 (0.39) KDM4EMAPTALDH1A1LMNAHSD17B10
SCHEMBL6702099 0.82 CYP1A1 (0.39) KDM4EMAPTALDH1A1LMNAHSD17B10
SCHEMBL6796794 0.78 KDM4E (0.42) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL6796804 0.78 KDM4E (0.42) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL6705253 0.76 ALDH1A1 (0.48) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL7007301 0.71 ALDH1A1 (0.57) KDM4EMAPTALDH1A1LMNAHPGD

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 KDM4E 1177/4885MAPT 3416/4885ALDH1A1 356/4885

“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.