SCHEMBL2969674

SCHEMBL2969674

FC(F)(F)Oc1ccc2[nH]c3c(c2c1)CNCC3

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.66
KMT2A Q03164 1/20 0.66
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
ALOX15 P16050 2/20 0.56
HSD17B10 Q99714 2/20 0.56
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
RECQL P46063 1/20 0.56
PMP22 Q01453 1/20 0.56
TAAR1 Q96RJ0 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.51
KDM4E B2RXH2 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
CFTR P13569 1/20 0.47
KIF11 P52732 1/20 0.44
PARP1 P09874 2/20 0.43

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
SCHEMBL15033493 0.89 RAD52 (0.67) RAD52KMT2ACYP1A2CYP2D6ALOX15
SCHEMBL968283 0.83 HSD17B10 (0.79) RAD52KMT2ACYP1A2CYP2D6ALOX15
SCHEMBL1873014 0.83 MAPT (0.51) RAD52KMT2ACYP1A2CYP2D6ALOX15
Hydrochloric Acid SCHEMBL18346074 0.82 HSD17B10 (0.77) RAD52KMT2ACYP1A2CYP2D6ALOX15
SCHEMBL2243675 0.80 TAAR1 (0.55) RAD52KMT2ACYP1A2CYP2D6ALOX15
SCHEMBL4886130 0.80 RAD52 (0.64) RAD52KMT2ACYP1A2CYP2D6ALOX15
SCHEMBL21114783 0.80 KMT2A (1.00) RAD52KMT2ACYP1A2CYP2D6ALOX15
Hydrochloric Acid SCHEMBL18345596 0.78 KMT2A (0.97) RAD52KMT2ACYP1A2CYP2D6ALOX15
SCHEMBL2243566 0.78 PARP1 (0.67) RAD52KMT2ACYP1A2CYP2D6ALOX15
Hydrochloric Acid SCHEMBL21630948 0.77 PARP1 (0.65) RAD52KMT2ACYP1A2CYP2D6ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2024-06-04 US disclosed
EP-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 EP disclosed
EP-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 EP disclosed
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 US disclosed
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 US disclosed
WO-2020012427-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-01-16 WO disclosed
US-20130156795-A1 METHODS FOR INHIBITION OF CELL PROLIFERATION, SYNERGISTIC TRANSCRIPTION MODULES AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2013-06-20 US disclosed
US-20130156795-A1 METHODS FOR INHIBITION OF CELL PROLIFERATION, SYNERGISTIC TRANSCRIPTION MODULES AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2013-06-20 US disclosed
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 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 (4 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-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis CFTR, ABCB11, ABCC5 RAD52 4798/4885KMT2A 4825/4885CYP1A2 1235/4885
US-20130156795-A1 METHODS FOR INHIBITION OF CELL PROLIFERATION, SYNERGISTIC TRANSCRIPTION MODULES AND USES THEREOF MKI67, DCX, CTCF RAD52 1040/4885KMT2A 806/4885CYP1A2 4857/4885
US-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 RAD52 563/4885KMT2A 82/4885CYP1A2 2392/4885
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 RAD52 4798/4885KMT2A 4825/4885CYP1A2 1235/4885

“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.