SCHEMBL10177008

SCHEMBL10177008

COc1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.65
ALDH1A1 P00352 4/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
LMNA P02545 3/20 0.63
KDM4E B2RXH2 2/20 0.63
HTT P42858 3/20 0.60
MAPT P10636 3/20 0.60
HPGD P15428 2/20 0.60
HIF1A Q16665 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
CNR2 P34972 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
DRD2 P14416 1/20 0.57
TBXA2R P21731 1/20 0.57
NPSR1 Q6W5P4 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL10175827 0.92 KMT2A (0.70) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL2607478 0.89 KMT2A (0.68) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL2607470 0.88 KDM4E (0.69) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL13182350 0.87 KMT2A (0.65) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL13182395 0.86 MEN1 (0.64) TP53ALDH1A1MEN1KMT2ALMNA
SCHEMBL2610181 0.85 MEN1 (0.68) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL22776356 0.84 ALDH1A1 (0.69) TP53ALDH1A1MEN1KMT2ALMNA
SCHEMBL31134293 0.83 PIN1 (0.70) TP53ALDH1A1MEN1KMT2AHTT
SCHEMBL2607501 0.81 GSK3B (0.69) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL2607346 0.81 MEN1 (0.68) ALDH1A1MEN1KMT2ALMNAKDM4E

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 4 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-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
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 TP53 3224/4885ALDH1A1 45/4885MEN1 3561/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 TP53 3224/4885ALDH1A1 45/4885MEN1 3561/4885

“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.