SCHEMBL4574403

SCHEMBL4574403

CC(=O)C=Cc1scnc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
PKM P14618 1/20 0.44
LY96 Q9Y6Y9 1/20 0.42
GLA P06280 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
VHL P40337 1/20 0.35
LMNA P02545 3/20 0.34
NR1H4 Q96RI1 2/20 0.34
IAPP P10997 2/20 0.33
HTT P42858 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
PTGS1 P23219 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL4574402 1.00 KDM4E (0.44) KDM4EPKMLY96GLATDP1
SCHEMBL1124222 0.85 KDM4E (0.48) KDM4EPKMLY96MAPTALDH1A1
SCHEMBL1124221 0.85 KDM4E (0.48) KDM4EPKMLY96MAPTALDH1A1
SCHEMBL6297569 0.81 LY96 (0.42) KDM4EPKMLY96VHLNR1H4
SCHEMBL6297571 0.81 LY96 (0.42) KDM4EPKMLY96VHLNR1H4
SCHEMBL10354607 0.78 CA12 (0.46) KDM4EPKMLY96MAPTALDH1A1
SCHEMBL10574399 0.78 CA12 (0.46) KDM4EPKMLY96MAPTALDH1A1
SCHEMBL18165764 0.76 ALDH1A1 (0.45) KDM4EPKMLY96MAPTALDH1A1
SCHEMBL28756445 0.76 MAPT (0.51) KDM4ELY96TDP1MAPTMEN1
SCHEMBL20604223 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 US disclosed
WO-2008050207-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS PFIZER LIMITED (GB) 2008-05-02 WO disclosed
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality PFIZER LIMITED (GB) 2008-05-01 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 (2 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-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality ADRB2, ADRB1, ADRA2C KDM4E 1178/4885PKM 245/4885LY96 1558/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C KDM4E 3904/4885PKM 1107/4885LY96 1654/4885

“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.