Sugi Predict

Sugi Predict / Compounds / SCHEMBL4584461

SCHEMBL4584461

SCHEMBL4584461

COc1cccc(/C=C/C(C)=O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TGFBR1 P36897 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ IDH1 O75874 1/20 0.41
▸ IAPP P10997 1/20 0.40
▸ APP P05067 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ HDAC3 O15379 2/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37

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
SCHEMBL4584462 1.00 KDM4E (0.51) KDM4EHTTLMNAMAPTCYP1A2
SCHEMBL1225317 0.87 KDM4E (0.49) KDM4ELMNASMN1; SMN2TGFBR1TDP1
SCHEMBL1225315 0.87 KDM4E (0.49) KDM4ELMNASMN1; SMN2TGFBR1TDP1
SCHEMBL3929433 0.85 TGFBR1 (0.45) KDM4ELMNAMAPTCYP1A2CYP2C19
SCHEMBL3929435 0.85 TGFBR1 (0.45) KDM4ELMNAMAPTCYP1A2CYP2C19
SCHEMBL12501357 0.83 TGFBR1 (0.44) KDM4EHTTLMNAMAPTCYP1A2
SCHEMBL17318492 0.78 ABCG2 (0.61) KDM4EHTTMAPTKMT2APOLB
SCHEMBL17318482 0.77 CXCL12 (0.51) KDM4EMAPTTGFBR1HDAC3HDAC4
SCHEMBL9853557 0.76 LMNA (0.42) KDM4EHTTLMNAMAPTCYP1A2
SCHEMBL9853554 0.76 LMNA (0.42) KDM4EHTTLMNAMAPTCYP1A2

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 1178/4885HTT 2508/4885LMNA 999/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C KDM4E 3904/4885HTT 4559/4885LMNA 865/4885

“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.