SCHEMBL698625

SCHEMBL698625

Cc1cccc(C(C)c2nccn2COC(=O)C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PSEN1 P49768 5/20 0.35
PSEN2 P49810 5/20 0.35
APH1B Q8WW43 5/20 0.35
NCSTN Q92542 5/20 0.35
APH1A Q96BI3 5/20 0.35
PSENEN Q9NZ42 5/20 0.35
OPRK1 P41145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 1/20 0.32
GRIN2B Q13224 1/20 0.32
NPC1 O15118 1/20 0.32
ELANE P08246 1/20 0.31
KDM5A P29375 1/20 0.31

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
SCHEMBL697750 0.88 POLB (0.36) KMT2AALDH1A1SMN1; SMN2BRD4NPC1
SCHEMBL698829 0.88 NPC1 (0.39) KMT2ASMN1; SMN2NPC1
SCHEMBL1573126 0.86 ALDH1A1 (0.40) ALDH1A1BRD4NPC1
SCHEMBL27845586 0.86 ADRA1D (0.36) KMT2AOPRK1SMN1; SMN2GRIN2B
Ethane SCHEMBL27845734 0.85 ADRA1D (0.36) KMT2AOPRK1SMN1; SMN2GRIN2B
SCHEMBL697333 0.83 KMT2A (0.36) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL696990 0.83 SMN1; SMN2 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL3528743 0.81 ALDH1A1 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2GRIN2B
SCHEMBL698624 0.81 ALDH1A1 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2GRIN2B
SCHEMBL697152 0.81 ALDH1A1 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2GRIN2B

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 10 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
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 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 MEN1 493/4885KMT2A 945/4885ALDH1A1 617/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MEN1 493/4885KMT2A 945/4885ALDH1A1 617/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MEN1 493/4885KMT2A 945/4885ALDH1A1 617/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MEN1 493/4885KMT2A 945/4885ALDH1A1 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.