SCHEMBL10176508

SCHEMBL10176508

O=C(Nc1ccc(Br)cc1)C(Oc1cccc2ccccc12)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
S1PR3 Q99500 1/20 0.55
F9 P00740 5/20 0.53
F10 P00742 5/20 0.53
PLAU P00749 5/20 0.53
ALDH1A1 P00352 4/20 0.48
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
FPR2 P25090 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
MITF O75030 1/20 0.44
POLB P06746 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL10175970 0.89 F9 (0.54) KMT2AMEN1F9F10PLAU
SCHEMBL2133364 0.88 KMT2A (0.55) KMT2AMEN1F9F10PLAU
SCHEMBL10176503 0.88 RAB9A (0.53) KMT2AMEN1S1PR3F9F10
SCHEMBL16541198 0.84 F9 (0.50) KMT2AMEN1F9F10PLAU
SCHEMBL16541199 0.84 F10 (0.50) KMT2AMEN1F9F10PLAU
SCHEMBL4535585 0.84 F9 (0.47) KMT2AF9F10PLAUALDH1A1
SCHEMBL16541200 0.84 NPSR1 (0.53) KMT2AMEN1SLC6A2SLC6A4LMNA
SCHEMBL2610108 0.81 SLC6A2 (0.46) KMT2AMEN1S1PR3ALDH1A1SLC6A2
SCHEMBL2610107 0.80 MEN1 (0.42) KMT2AMEN1S1PR3ALDH1A1SLC6A2
SCHEMBL10177149 0.77 MEN1 (0.43) KMT2AMEN1S1PR3ALDH1A1FPR2

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 3 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

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 3016/4885MEN1 3561/4885S1PR3 786/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 KMT2A 3016/4885MEN1 3561/4885S1PR3 786/4885

“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.