Sugi Predict

Sugi Predict / Compounds / SCHEMBL314362

SCHEMBL314362

SCHEMBL314362

COc1ccc2c(O)cc(-c3cc(C(C)C)on3)nc2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.37
▸ HPGD P15428 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ CYP19A1 P11511 2/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL10271656 0.89 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP1A2MAPK1
SCHEMBL8002912 0.86 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACYP1A2MAPK1
SCHEMBL10220691 0.86 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACYP1A2MAPK1
SCHEMBL8125924 0.85 NPC1 (0.33) ALDH1A1MEN1KMT2ACYP1A2MAPK1
SCHEMBL16579241 0.83 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ACYP1A2MAPK1
SCHEMBL313502 0.78 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ACYP1A2MAPK1
SCHEMBL577561 0.77 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACYP1A2MAPK1
SCHEMBL3372041 0.76 BCL6 (0.32) CYP19A1CYP11B1CYP11B2CYP17A1PDE4D
SCHEMBL12731896 0.75 MEN1 (0.50) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL995496 0.75 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ACYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250174-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2013-08-28 — — EP disclosed
US-8093379-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-01-10 — — US disclosed
US-8003659-B2 Macrocyclic serine protease inhibitors INDENIX PHARMACEUTICALS, INC. (US) 2011-08-23 — — US disclosed
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-01-21 — — US disclosed
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-08-13 — — US disclosed
WO-2009005676-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 — — WO 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-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1790/4885MEN1 3350/4885KMT2A 4387/4885
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1790/4885MEN1 3350/4885KMT2A 4387/4885

“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.