SCHEMBL2607660

SCHEMBL2607660

C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(C)cc2)c1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.82
LMNA P02545 3/20 0.82
ALDH1A1 P00352 1/20 0.77
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
TP53 P04637 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
POLB P06746 1/20 0.68
TSHR P16473 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
HTT P42858 2/20 0.67
MAPK1 P28482 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67

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
SCHEMBL14177544 0.90 MAPT (0.82) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL15597426 0.90 MAPT (0.82) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL15597389 0.90 MAPT (1.00) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL2607584 0.90 MAPT (0.81) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL2607504 0.90 MAPT (0.73) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL16541176 0.89 LMNA (0.72) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL14357578 0.89 MAPT (0.84) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL13182408 0.89 MAPT (0.80) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL13182406 0.89 LMNA (0.80) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL16627056 0.88 MAPT (0.74) MAPTLMNAALDH1A1MEN1KMT2A

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-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 US disclosed
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 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-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections University of Georgia Foundation, Inc. (US) 2012-04-26 US disclosed
EP-0182166-A2 Process for preparing phenylisopropylurea compounds AMERICAN CYANAMID COMPANY (US) 1986-05-28 EP disclosed
US-4578513-A Process for preparing phenylisopropylurea compounds AMERICAN CYANAMID COMPANY (US) 1986-03-25 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 (3 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-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS IMPDH1, IMPDH2, IMPA1 MAPT 3597/4885LMNA 4240/4885ALDH1A1 57/4885
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.