SCHEMBL2607644

SCHEMBL2607644

COc1cccc(N2CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.67
ROCK1 Q13464 2/20 0.61
ROCK2 O75116 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.56
TSHR P16473 2/20 0.56
MAPK1 P28482 1/20 0.56
PARP1 P09874 7/20 0.55
TNKS O95271 1/20 0.53
MAPT P10636 3/20 0.51
POLB P06746 1/20 0.51
ADAMTS5 Q9UNA0 1/20 0.50
ADAMTS4 O75173 1/20 0.49

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
SCHEMBL17311660 0.76 ROCK1 (1.00) KMT2AROCK1ROCK2SMN1; SMN2LMNA
SCHEMBL14224740 0.74 LMNA (0.63) KMT2ALMNAGAAMAPK1MAPT
SCHEMBL7828151 0.74 LMNA (0.63) KMT2ALMNAGAATSHRMAPK1
SCHEMBL27325422 0.74 KMT2A (0.54) KMT2ASMN1; SMN2LMNAGAATSHR
SCHEMBL9579424 0.73 MAPT (0.62) KMT2ALMNAGAATSHRMAPT
SCHEMBL6414178 0.73 ALDH1A1 (0.54) KMT2ALMNAGAAMAPT
SCHEMBL1658342 0.71 ROCK1 (0.53) ROCK1ROCK2LMNAGAATSHR
SCHEMBL9321229 0.71 KMT2A (0.74) KMT2ATSHRMAPTPOLB
SCHEMBL27736419 0.71 GRM5 (0.75) KMT2AGAAMAPK1MAPTPOLB
SCHEMBL27739890 0.71 KMT2A (0.65) KMT2ALMNAGAATSHRMAPT

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 KMT2A 3016/4885ROCK1 1543/4885ROCK2 1859/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 KMT2A 3016/4885ROCK1 1543/4885ROCK2 1859/4885

“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.