SCHEMBL3399062

SCHEMBL3399062

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLQ O75417 4/20 0.48
ESR1 P03372 1/20 0.45
ALDH1A1 P00352 2/20 0.44
ACHE P22303 2/20 0.41
TP53 P04637 1/20 0.41
F2R P25116 1/20 0.41
TACR1 P25103 1/20 0.41
HDAC6 Q9UBN7 3/20 0.40
BCHE P06276 1/20 0.39
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
THRB P10828 1/20 0.37
RAB9A P51151 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37

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
SCHEMBL13041529 0.87 POLQ (0.50) POLQESR1ALDH1A1ACHETACR1
SCHEMBL11309832 0.84 POLQ (0.50) POLQESR1ACHETACR1HDAC6
SCHEMBL13041505 0.83 POLQ (0.47) POLQESR1ALDH1A1ACHETACR1
SCHEMBL3741148 0.82 HDAC6 (0.44) POLQESR1ALDH1A1ACHEHDAC6
SCHEMBL3744798 0.82 HDAC6 (0.44) POLQESR1ALDH1A1ACHEHDAC6
SCHEMBL3266697 0.79 POLQ (0.46) POLQESR1ALDH1A1ACHETACR1
SCHEMBL10272367 0.79 ALDH1A1 (0.48) ESR1ALDH1A1TP53F2RPOLB
SCHEMBL25076165 0.78 TSPO (0.47) POLQESR1TACR1HDAC6
SCHEMBL2088431 0.78 POLQ (0.46) POLQESR1ALDH1A1TP53TACR1
SCHEMBL2088432 0.78 POLQ (0.50) POLQESR1ALDH1A1TACR1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators GRUENENTHAL GMBH (DE) 2010-04-29 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 (1 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-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators KCNQ1, KCNQ3, KCNQ2 POLQ 1980/4885ESR1 2615/4885ALDH1A1 2284/4885

“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.