SCHEMBL2607698

SCHEMBL2607698

C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3c(c2)OCO3)c1

nearest known ligand 0.88

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.69
LMNA P02545 1/20 0.69
ALDH1A1 P00352 1/20 0.65
TSHR P16473 1/20 0.63
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
POLB P06746 1/20 0.61
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL15569804 0.94 MAPT (0.69) MAPTLMNAALDH1A1TSHRPOLB
SCHEMBL2607799 0.92 MAPT (0.66) MAPTLMNAALDH1A1TSHRPOLB
SCHEMBL2607670 0.85 MAPT (0.63) MAPTLMNAALDH1A1TSHRNPC1
SCHEMBL16939821 0.84 MAPT (0.61) MAPTLMNAALDH1A1TSHRPOLB
SCHEMBL2607710 0.83 MAPT (0.60) MAPTLMNAALDH1A1TSHRNPC1
SCHEMBL2607695 0.83 MAPT (0.84) MAPTLMNAALDH1A1TSHRPOLB
SCHEMBL16627056 0.82 MAPT (0.74) MAPTLMNAALDH1A1TSHRPOLB
SCHEMBL15597426 0.82 MAPT (0.82) MAPTLMNAALDH1A1TSHRPOLB
SCHEMBL14177544 0.82 MAPT (0.82) MAPTLMNAALDH1A1TSHRPOLB
SCHEMBL2607660 0.82 MAPT (0.82) MAPTLMNAALDH1A1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-09 US disclosed
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-09 US disclosed
US-8969342-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2015-03-03 US disclosed
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
US-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections University of Georgia Foundation, Inc. (US) 2012-04-26 US disclosed
WO-2010108187-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2010-09-23 WO 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 (2 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 MAPT 4129/4885LMNA 3978/4885ALDH1A1 45/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 MAPT 4129/4885LMNA 3978/4885ALDH1A1 45/4885

“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.