Sugi Predict

Sugi Predict / Compounds / SCHEMBL2004833

SCHEMBL2004833

SCHEMBL2004833

COc1ccc(-c2ncc(F)c(NCCCOc3ccc4[nH]cc(C(C)C(=O)O)c4c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 9/20 0.43
▸ CYP3A4 P08684 9/20 0.43
▸ CYP2D6 P10635 9/20 0.43
▸ CYP2C19 P33261 9/20 0.43
▸ LMNA P02545 8/20 0.43
▸ KMT2A Q03164 7/20 0.43
▸ CYP2C9 P11712 6/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ TP53 P04637 4/20 0.43
▸ ALOX15 P16050 4/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ HIF1A Q16665 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MTNR1A P48039 2/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ USP2 O75604 7/20 0.41
▸ CLK4 Q9HAZ1 6/20 0.41
▸ MAPK1 P28482 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40

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
SCHEMBL2004872 0.95 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL4229896 0.92 PPARD (0.39) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL2004366 0.88 MTNR1A (0.39) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL2004830 0.84 KDM4E (0.37) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL2026487 0.84 HTR1A (0.36) KDM4EMAPTMTNR1AMTNR1BHTR2A
SCHEMBL2004819 0.80 PPARD (0.40) KDM4EMTNR1AMTNR1BTRPV1POLB
SCHEMBL2004870 0.79 CHRNA7 (0.37) KMT2AKDM4EMAPTSMN1; SMN2USP2
SCHEMBL12568713 0.77 ITGB3 (0.46) KMT2ASYK
SCHEMBL4229893 0.77 PPARA (0.40) LMNAKMT2AMEN1TP53KDM4E
SCHEMBL2004284 0.73 KDM4E (0.51) CYP1A2CYP3A4CYP2D6CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 — — US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 — — US disclosed
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 — — US disclosed
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC 2006-11-23 — — 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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT CYP1A2 404/4885CYP3A4 455/4885CYP2D6 767/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT CYP1A2 404/4885CYP3A4 455/4885CYP2D6 767/4885

“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.