SCHEMBL2607670

SCHEMBL2607670

CC(=O)c1cccc(C(C)(C)NC(=O)Nc2ccc3c(c2)OCCO3)c1

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
LMNA P02545 1/20 0.63
NPC1 O15118 4/20 0.61
RAB9A P51151 3/20 0.61
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
KMT2A Q03164 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL2607710 0.95 MAPT (0.60) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL15569804 0.92 MAPT (0.69) MAPTLMNAALDH1A1MEN1POLB
SCHEMBL2607799 0.88 MAPT (0.66) MAPTLMNAALDH1A1MEN1POLB
SCHEMBL2607599 0.86 NPC1 (0.50) MAPTLMNANPC1RAB9A
SCHEMBL2607698 0.85 MAPT (0.69) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL2607504 0.82 MAPT (0.73) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL13182100 0.81 MAPT (0.72) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL13182096 0.81 LMNA (0.72) MAPTLMNAALDH1A1
SCHEMBL16939821 0.80 MAPT (0.61) MAPTLMNAALDH1A1MEN1POLB
SCHEMBL22648578 0.80 NPC1 (0.68) MAPTLMNANPC1RAB9ACYP1A2

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 3978/4885NPC1 641/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 MAPT 4129/4885LMNA 3978/4885NPC1 641/4885

“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.