Sugi Predict

Sugi Predict / Compounds / SCHEMBL4889842

SCHEMBL4889842

SCHEMBL4889842

CC(=O)CCc1ccc(-n2c(C)ccc2C)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ P4HTM Q9NXG6 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ AOC3 Q16853 3/20 0.38
▸ KLKB1 P03952 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ SLC6A2 P23975 1/20 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
SCHEMBL12662934 0.79 KDM4E (0.49) ALDH1A1KDM4EL3MBTL1SMN1; SMN2TSHR
SCHEMBL3925520 0.78 KDM4E (0.45) ALDH1A1KDM4EL3MBTL1RXRARXRB
SCHEMBL12295789 0.77 SMN1; SMN2 (0.55) ALDH1A1KDM4EL3MBTL1P4HTMSMN1; SMN2
SCHEMBL13268136 0.75 KDM4E (0.51) ALDH1A1KDM4EL3MBTL1SMN1; SMN2KLKB1
SCHEMBL13097387 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1P4HTMSMN1; SMN2
SCHEMBL17477885 0.74 KDM4E (0.50) ALDH1A1KDM4EL3MBTL1SMN1; SMN2KLKB1
SCHEMBL5717114 0.72 ALDH1A1 (0.58) ALDH1A1KDM4EL3MBTL1P4HTMSMN1; SMN2
SCHEMBL5044998 0.72 GABRP (0.56) ALDH1A1KDM4EP4HTMSMN1; SMN2LMNA
SCHEMBL3595779 0.72 KCNJ1 (0.55) ALDH1A1KDM4EL3MBTL1SMN1; SMN2TSHR
SCHEMBL1873120 0.72 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1P4HTMSMN1; 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 2 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
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 ALDH1A1 650/4885KDM4E 1178/4885L3MBTL1 3143/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C ALDH1A1 645/4885KDM4E 3904/4885L3MBTL1 3345/4885

“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.