SCHEMBL10175697

SCHEMBL10175697

CC(Oc1ccccc1)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
MAPT P10636 1/20 0.73
KMT2A Q03164 3/20 0.72
MEN1 O00255 2/20 0.72
ATM Q13315 1/20 0.72
RXFP1 Q9HBX9 1/20 0.72
POLB P06746 1/20 0.70
TSHR P16473 1/20 0.66
KLK7 P49862 1/20 0.63
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
FFAR1 O14842 1/20 0.60
ALDH1A1 P00352 2/20 0.59
HPGD P15428 1/20 0.58
TP53 P04637 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
SCHEMBL13532261 0.89 KMT2A (0.77) LMNASMN1; SMN2KMT2AMEN1ATM
SCHEMBL28577458 0.87 LMNA (0.64) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL28577456 0.87 LMNA (0.64) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL2610070 0.85 LMNA (0.66) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL10175988 0.85 KMT2A (0.72) KMT2AMEN1ATMRXFP1POLB
SCHEMBL21729893 0.85 POLB (0.79) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL2610073 0.85 KMT2A (0.72) KMT2AMEN1ATMRXFP1POLB
SCHEMBL11437645 0.85 POLB (0.74) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL2610075 0.85 KMT2A (0.72) KMT2AMEN1ATMRXFP1POLB
SCHEMBL14344662 0.85 KMT2A (0.72) LMNASMN1; SMN2MAPTKMT2AMEN1

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 LMNA 3978/4885SMN1; SMN2 4251/4885MAPT 4129/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 LMNA 3978/4885SMN1; SMN2 4251/4885MAPT 4129/4885

“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.