SCHEMBL13041529

SCHEMBL13041529

CCC(=O)N(C)c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLQ O75417 6/20 0.50
ESR1 P03372 1/20 0.44
TACR1 P25103 2/20 0.43
ACHE P22303 2/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
RAB9A P51151 1/20 0.39
NOX1 Q9Y5S8 1/20 0.39
BCHE P06276 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL13041505 0.89 POLQ (0.47) POLQESR1TACR1ACHEPOLB
SCHEMBL3399062 0.87 POLQ (0.48) POLQESR1TACR1ACHEPOLB
SCHEMBL11309832 0.87 POLQ (0.50) POLQESR1TACR1ACHEHDAC6
SCHEMBL21765852 0.82 ALDH1A1 (0.43) TACR1KDM4EKMT2AMEN1NPC1
SCHEMBL3266697 0.81 POLQ (0.46) POLQESR1TACR1ACHEHDAC6
SCHEMBL25076165 0.81 TSPO (0.47) POLQESR1TACR1HDAC6LMNA
SCHEMBL2088432 0.81 POLQ (0.50) POLQESR1TACR1HDAC6KDM4E
SCHEMBL2088431 0.81 POLQ (0.46) POLQESR1TACR1HDAC6ALDH1A1
SCHEMBL5279754 0.80 ESR1 (0.41) POLQESR1ACHEPOLBMAPK1
SCHEMBL4602848 0.79 POLQ (0.45) POLQESR1TACR1HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280034-A1 Modulation of pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-7338969-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-03-04 US disclosed
US-20070208012-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-09-06 US disclosed
US-20070203128-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-30 US disclosed
US-20070197492-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070196340-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070184014-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-09 US disclosed
US-20070093534-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-04-26 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 (7 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-20070197492-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS POLQ 4075/4885ESR1 2440/4885TACR1 1729/4885
US-20070203128-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS POLQ 4075/4885ESR1 2440/4885TACR1 1729/4885
US-20070093534-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 POLQ 3971/4885ESR1 390/4885TACR1 1012/4885
US-20070208012-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS POLQ 4075/4885ESR1 2440/4885TACR1 1729/4885
US-20100280034-A1 Modulation of pathogenicity NR1H4, NR1I3, NR1H2 POLQ 3971/4885ESR1 390/4885TACR1 1012/4885
US-20070184014-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS POLQ 4075/4885ESR1 2440/4885TACR1 1729/4885
US-20070196340-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 POLQ 3971/4885ESR1 390/4885TACR1 1012/4885

“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.