Sugi Predict

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SCHEMBL697715

SCHEMBL697715

COc1ccccc1COC(=O)n1ccnc1[C@@H](C)c1cccc(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CTSA P10619 2/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.35
▸ GRIN2B Q13224 1/20 0.34
▸ PTGER1 P34995 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL698876 0.93 MAPT (0.44) TDP1MAPK1TSHRMAPTSMN1; SMN2
SCHEMBL3530362 0.92 FNTA (0.40) TDP1TSHRMAPTALDH1A1L3MBTL1
SCHEMBL698176 0.91 GRIN2B (0.41) TDP1MAPK1TSHRMAPTSMN1; SMN2
SCHEMBL713262 0.90 KDM5A (0.36) TDP1MAPK1MAPTMEN1KMT2A
SCHEMBL713263 0.90 KDM5A (0.36) TDP1MAPK1MAPTMEN1KMT2A
SCHEMBL697660 0.90 NPC1 (0.38) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL697345 0.90 NPC1 (0.38) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL698816 0.89 SGMS2 (0.36) TSHRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL697922 0.89 ALDH1A1 (0.39) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL698049 0.88 ALDH1A1 (0.39) MAPK1MAPTSMN1; SMN2KMT2AALDH1A1

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 TDP1 2820/4885MAPK1 3695/4885TSHR 3443/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TDP1 2820/4885MAPK1 3695/4885TSHR 3443/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TDP1 2820/4885MAPK1 3695/4885TSHR 3443/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TDP1 2820/4885MAPK1 3695/4885TSHR 3443/4885

“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.