SCHEMBL14825142

SCHEMBL14825142

Cc1sc(NC(=O)c2c(F)cccc2F)nc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 1.00
MEN1 O00255 4/20 1.00
ALDH1A1 P00352 9/20 0.74
RAB9A P51151 5/20 0.62
NPSR1 Q6W5P4 3/20 0.62
LMNA P02545 2/20 0.62
PKM P14618 2/20 0.62
ALOX5 P09917 1/20 0.62
NPC1 O15118 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MAPT P10636 3/20 0.61
HPGD P15428 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
KDM4E B2RXH2 2/20 0.60
POLB P06746 1/20 0.60
GSTO1 P78417 1/20 0.60
HSD17B10 Q99714 2/20 0.58
XIAP P98170 1/20 0.58

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
SCHEMBL2752627 0.86 ALDH1A1 (0.76) KMT2AMEN1ALDH1A1RAB9ANPSR1
SCHEMBL17107156 0.82 ALDH1A1 (0.79) KMT2AMEN1ALDH1A1RAB9ANPSR1
SCHEMBL10810440 0.81 ALOX5 (0.76) KMT2AMEN1ALDH1A1RAB9ANPSR1
SCHEMBL205687 0.80 KMT2A (0.67) KMT2AMEN1ALDH1A1RAB9ANPSR1
SCHEMBL15086878 0.79 ALOX5 (0.74) KMT2AMEN1ALDH1A1RAB9ANPSR1
SCHEMBL2753568 0.79 ADORA3 (0.73) KMT2AMEN1ALDH1A1RAB9ANPSR1
SCHEMBL31665058 0.79 RAB9A (0.65) KMT2AMEN1ALDH1A1RAB9ANPSR1
SCHEMBL12248914 0.79 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1RAB9ANPSR1
SCHEMBL18588881 0.79 MEN1 (0.65) KMT2AMEN1ALDH1A1RAB9ANPSR1
SCHEMBL16017437 0.79 MEN1 (0.65) KMT2AMEN1ALDH1A1RAB9ALMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170290814-A1 METHODS OF TREATMENT OF CHOLESTASIS AND FIBROSIS GENFIT (FR) 2017-10-12 US claimed
WO-2017178174-A1 METHODS OF TREATMENT OF CHOLESTASIS AND FIBROSIS GENFIT (FR) 2017-10-19 WO disclosed
US-20170290814-A1 METHODS OF TREATMENT OF CHOLESTASIS AND FIBROSIS GENFIT (FR) 2017-10-12 US disclosed
US-20170290814-A1 METHODS OF TREATMENT OF CHOLESTASIS AND FIBROSIS GENFIT (FR) 2017-10-12 US disclosed
US-20170290814-A1 METHODS OF TREATMENT OF CHOLESTASIS AND FIBROSIS GENFIT (FR) 2017-10-12 US disclosed
US-20130085133-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREENFOR ANTI-VIRAL AGENT Sourthern Research Institute Office of Commercialization and Intellectual Prop. (US) 2013-04-04 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-20130085133-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREENFOR ANTI-VIRAL AGENT MAVS, SNRPE, LONP1 KMT2A 4174/4885MEN1 1632/4885ALDH1A1 3082/4885
US-20170290814-A1 METHODS OF TREATMENT OF CHOLESTASIS AND FIBROSIS NR1H4, SLC10A1, MMP1 KMT2A 4164/4885MEN1 4583/4885ALDH1A1 748/4885

“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.