Sugi Predict

Sugi Predict / Compounds / SCHEMBL697545

SCHEMBL697545

SCHEMBL697545

COCCCCOC(=O)n1ccnc1[C@@H](C)c1cccc(C)c1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ HTR4 Q13639 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ADRA2A P08913 2/20 0.30
▸ ADRA2B P18089 2/20 0.30
▸ ADRA2C P18825 2/20 0.30

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
SCHEMBL697687 0.95 CYP3A4 (0.32) ALDH1A1LMNAMAPK1MAPTPOLB
SCHEMBL703068 0.94 ALDH1A1 (0.33) ALDH1A1LMNAMAPK1SMN1; SMN2TSHR
SCHEMBL697335 0.92 MAPK1 (0.36) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL698906 0.91 RARB (0.33) ALDH1A1LMNAMAPK1SMN1; SMN2TSHR
SCHEMBL698638 0.90 BCHE (0.38) ALDH1A1MAPK1TSHRMAPTCYP3A4
SCHEMBL697568 0.89 MEN1 (0.34) ALDH1A1LMNAMAPK1SMN1; SMN2TSHR
SCHEMBL697702 0.88 MAPK1 (0.43) ALDH1A1LMNAMAPK1TSHRMAPT
SCHEMBL699093 0.88 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1TSHRMAPT
SCHEMBL699055 0.88 ALDH1A1 (0.34) ALDH1A1LMNAMAPK1HPGDMAPT
SCHEMBL698373 0.88 LMNA (0.33) LMNAMAPK1TSHRPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 — — EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 — — US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 — — US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 — — US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 — — US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 — — US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 — — US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 — — US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 — — 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885LMNA 3030/4885MAPK1 3695/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885LMNA 3030/4885MAPK1 3695/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885LMNA 3030/4885MAPK1 3695/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885LMNA 3030/4885MAPK1 3695/4885

“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.