SCHEMBL10176503

SCHEMBL10176503

Cc1ccc(NC(=O)C(Oc2cccc3ccccc23)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
F9 P00740 5/20 0.53
F10 P00742 5/20 0.53
PLAU P00749 5/20 0.53
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
NPSR1 Q6W5P4 1/20 0.48
IDO1 P14902 1/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
HTR1E P28566 1/20 0.46
S1PR3 Q99500 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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) F9F10PLAUALDH1A1KMT2A
SCHEMBL10176508 0.88 KMT2A (0.55) RAB9AF9F10PLAUNPC1
SCHEMBL2133364 0.88 KMT2A (0.55) F9F10PLAUALDH1A1KMT2A
SCHEMBL16541203 0.85 RAB9A (0.56) RAB9ANPC1NPSR1LMNAMAPT
SCHEMBL16541198 0.84 F9 (0.50) RAB9AF9F10PLAUNPC1
SCHEMBL16541199 0.84 F10 (0.50) F9F10PLAUALDH1A1KMT2A
SCHEMBL4535585 0.81 F9 (0.47) F9F10PLAUALDH1A1KMT2A
SCHEMBL27852222 0.78 SLC6A2 (0.49) RAB9AF9F10PLAUALDH1A1
SCHEMBL10631675 0.78 TSHR (0.56) ALDH1A1KMT2AMEN1NPSR1LMNA
SCHEMBL11259835 0.78 TSHR (0.56) ALDH1A1KMT2AMEN1NPSR1LMNA

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 RAB9A 1748/4885F9 3889/4885F10 4031/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 RAB9A 1748/4885F9 3889/4885F10 4031/4885

“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.