Sugi Predict

Sugi Predict / Compounds / SCHEMBL2004366

SCHEMBL2004366

SCHEMBL2004366

COc1ccc(-c2ncc(F)c(CNCCCOc3ccc4[nH]cc(C(C)C(=O)O)c4c3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 5/20 0.39
▸ MTNR1B P49286 4/20 0.39
▸ TRPV1 Q8NER1 3/20 0.38
▸ LMNA P02545 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ HTR2A P28223 3/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL2026487 0.95 HTR1A (0.36) MTNR1AMTNR1BHTR2AHTR1AHTR1D
SCHEMBL2004819 0.93 PPARD (0.40) MTNR1AMTNR1BTRPV1POLBHTR1A
SCHEMBL2004833 0.88 CYP1A2 (0.43) MTNR1AMTNR1BTRPV1LMNACYP1A2
SCHEMBL2004284 0.86 KDM4E (0.51) MTNR1AMTNR1BTRPV1LMNACYP1A2
SCHEMBL2004368 0.85 APP (0.35) MTNR1ACYP2C19KMT2AKDM4EMEN1
SCHEMBL2004872 0.83 CYP1A2 (0.39) MTNR1AMTNR1BTRPV1LMNACYP1A2
SCHEMBL4229896 0.80 PPARD (0.39) MTNR1AMTNR1BTRPV1LMNACYP1A2
SCHEMBL2026488 0.79 PPARA (0.35) USP2KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL2006659 0.79 PPARD (0.47) MTNR1AMTNR1BHTR2AHTR1AHTR1D
SCHEMBL2004288 0.78 MTNR1A (0.40) MTNR1AMTNR1BKDM4EMAPT

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 MTNR1A 783/4885MTNR1B 798/4885TRPV1 1392/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT MTNR1A 783/4885MTNR1B 798/4885TRPV1 1392/4885

“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.