Sugi Predict

Sugi Predict / Compounds / SCHEMBL4034664

SCHEMBL4034664

SCHEMBL4034664

Cc1ccc2c(C)[c]oc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP1A2 P05177 3/20 0.33
▸ CHRNA7 P36544 2/20 0.33
▸ HTR3A P46098 2/20 0.33
▸ CYP2A6 P11509 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ PSMB8 P28062 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ CDC25A P30304 1/20 0.32
▸ CDC25C P30307 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
SCHEMBL3602274 0.83 MAPT (0.36) ALDH1A1HPGDMAPTSMN1; SMN2KMT2A
SCHEMBL3949954 0.79 MAOB (0.39) MAOBCHRNA7HTR3AKEAP1CDC25A
SCHEMBL3100971 0.79 MAPT (0.35) ALDH1A1HPGDMAPTRAB9ALMNA
SCHEMBL221025 0.73 CYP1A2 (0.36) MAOBALDH1A1GAAHPGDMAPT
SCHEMBL9927267 0.69 MAOB (0.53) MAOBALDH1A1GAAHPGDMAPT
SCHEMBL3535803 0.67 AHR (0.41) MAOBALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL693617 0.67 GABRP (0.35) MAOBMAPTMEN1KMT2ACYP1A2
SCHEMBL15195120 0.65 MAOB (0.50) MAOBALDH1A1GAAHPGDMAPT
SCHEMBL10031365 0.65 MAOB (0.50) MAOBALDH1A1GAAHPGDMAPT
SCHEMBL4462775 0.64 KDM4E (0.35) ALDH1A1HPGDMAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615906-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-01-18 — — EP claimed
WO-2004092154-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-10-28 — — WO claimed
US-20040198750-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-10-07 — — US claimed
US-7547794-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-16 — — US disclosed
EP-1615906-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-01-18 — — EP disclosed
WO-2004092154-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-10-28 — — WO disclosed
US-20040198750-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-10-07 — — 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-20040198750-A1 Compositions useful as inhibitors of protein kinases MAP3K20, MAP3K6, PACSIN2 MAOB 3049/4885ALDH1A1 4702/4885GAA 1242/4885

“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.