SCHEMBL2607722

SCHEMBL2607722

O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2oc(-c3ccccc3)nc2c1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 15/20 0.78
MAPT P10636 3/20 0.70
LMNA P02545 1/20 0.70
CEPT1 Q9Y6K0 1/20 0.69
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
HPGD P15428 1/20 0.65
HSD17B10 Q99714 1/20 0.65
POLB P06746 2/20 0.64
TP53 P04637 2/20 0.64
RXFP1 Q9HBX9 1/20 0.64
THRB P10828 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL2607605 0.91 CETP (0.80) CETPMAPTLMNACEPT1TP53
SCHEMBL13182119 0.91 KDM4E (0.78) CETPMAPTLMNACEPT1KDM4E
SCHEMBL13182118 0.83 MAPT (0.76) CETPMAPTLMNACEPT1KDM4E
SCHEMBL13677062 0.82 CETP (1.00) CETPMAPTCEPT1TP53RXFP1
SCHEMBL2607748 0.81 KDM4E (0.85) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL4534132 0.79 CETP (0.86) CETPMAPTCEPT1TP53RXFP1
SCHEMBL1734039 0.78 CETP (0.79) CETPMAPTCEPT1POLBTP53
SCHEMBL13054292 0.78 MCHR1 (0.64) CETPMAPTLMNACEPT1POLB
SCHEMBL2245308 0.78 MAPT (0.81) CETPMAPTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL3749992 0.77 MCHR1 (0.63) CETPMAPTLMNACEPT1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969342-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2015-03-03 US disclosed
US-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections University of Georgia Foundation, Inc. (US) 2012-04-26 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 (1 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-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 CETP 1943/4885MAPT 4129/4885LMNA 3978/4885

“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.