SCHEMBL1789192

SCHEMBL1789192

O=c1[nH]nc(C(F)(F)F)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.53
ATM Q13315 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 3/20 0.49
PRMT5 O14744 1/20 0.49
PARP1 P09874 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 3/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PKM P14618 1/20 0.42
KHK P50053 1/20 0.42

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
SCHEMBL30466800 1.00 AR (0.53) ARATMNPSR1MAPTPRMT5
SCHEMBL10222520 0.81 ATM (0.52) ARATMNPSR1PRMT5PARP1
SCHEMBL25141598 0.79 PRMT5 (0.40) ARMAPTPRMT5PARP1SMN1; SMN2
SCHEMBL29426552 0.78 PRMT5 (0.43) ARMAPTPRMT5SMN1; SMN2ALDH1A1
SCHEMBL29426626 0.78 PRMT5 (0.46) ARPRMT5ALDH1A1
SCHEMBL23526315 0.78 PRMT5 (0.46) ARPRMT5ALDH1A1
SCHEMBL29868197 0.76 KDM4E (0.52) NPSR1MAPTKDM4EALDH1A1GAA
SCHEMBL4751136 0.76 KDM4E (0.52) NPSR1MAPTKDM4EALDH1A1GAA
SCHEMBL4134456 0.74 PIK3CA (0.47) MAPTPRMT5POLBLMNAKDM4E
SCHEMBL30603062 0.74 NPSR1 (0.67) ATMNPSR1MAPTPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051319-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2025-02-13 US disclosed
EP-4452265-A2 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS Augustine Therapeutics (BE) 2024-10-30 EP disclosed
WO-2023118507-A2 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2023-06-29 WO disclosed
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 US disclosed
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 EP disclosed
WO-2011066168-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-06-03 WO disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 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-20250051319-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS HDAC6, HDAC9, HDAC1 AR 777/4885ATM 1878/4885NPSR1 1214/4885
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 AR 2066/4885ATM 3548/4885NPSR1 505/4885

“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.