Sugi Predict

Sugi Predict / Compounds / SCHEMBL698178

SCHEMBL698178

SCHEMBL698178

COc1cc(COC(=O)n2ccnc2[C@@H](C)c2cccc(C)c2C)ccc1C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ FFAR1 O14842 6/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ CTSA P10619 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GRM4 Q14833 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ ADRB3 P13945 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
SCHEMBL697835 0.93 MAPT (0.41) MAPTALDH1A1TDP1LMNAPOLB
SCHEMBL697607 0.92 ALKBH1 (0.36) MAPTALDH1A1TDP1RAB9ALMNA
SCHEMBL697860 0.90 FFAR1 (0.35) SLC22A12MAPTFFAR1RAB9ALMNA
SCHEMBL703828 0.90 MEN1 (0.42) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL698141 0.90 KMT2A (0.38) MAPTALDH1A1FFAR1LMNAL3MBTL1
SCHEMBL716667 0.88 KDM5A (0.37) MAPTFFAR1RAB9ALMNATP53
SCHEMBL716668 0.88 KDM5A (0.37) MAPTFFAR1RAB9ALMNATP53
SCHEMBL699122 0.88 FFAR1 (0.41) MAPTALDH1A1FFAR1RAB9ALMNA
SCHEMBL696627 0.87 GRIN2B (0.40) MAPTALDH1A1TDP1FFAR1RAB9A
SCHEMBL697913 0.86 PDE4B (0.40) TDP1

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 SLC22A12 2191/4885MAPT 316/4885ALDH1A1 617/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SLC22A12 2191/4885MAPT 316/4885ALDH1A1 617/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SLC22A12 2191/4885MAPT 316/4885ALDH1A1 617/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SLC22A12 2191/4885MAPT 316/4885ALDH1A1 617/4885

“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.