SCHEMBL17877267

SCHEMBL17877267

O=C(COc1cccc(C(F)(F)F)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.60
CREBBP Q92793 2/20 0.60
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
ENPP2 Q13822 3/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
EP300 Q09472 1/20 0.48
P2RX7 Q99572 1/20 0.47
MAPK1 P28482 1/20 0.46
CPT2 P23786 1/20 0.45
CPT1A P50416 1/20 0.45
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44

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
SCHEMBL17877224 0.90 BRD4 (0.63) BRD4CREBBPALDH1A1GAAENPP2
SCHEMBL17877223 0.89 BRD4 (0.67) BRD4CREBBPALDH1A1LMNAMAPT
SCHEMBL17877261 0.88 CREBBP (0.63) BRD4CREBBPALDH1A1ENPP2MAPT
SCHEMBL17877242 0.88 BRD4 (0.66) BRD4CREBBPALDH1A1MAPTP2RX7
SCHEMBL17868180 0.87 BRD4 (0.73) BRD4CREBBPALDH1A1GAALMNA
SCHEMBL17877216 0.86 CREBBP (0.66) BRD4CREBBPALDH1A1KDM4EMAPT
SCHEMBL17877217 0.86 BRD4 (0.63) BRD4CREBBPENPP2MAPTP2RX7
SCHEMBL17877263 0.84 BRD4 (0.61) BRD4CREBBPALDH1A1MAPTP2RX7
SCHEMBL17868186 0.84 CREBBP (0.60) BRD4CREBBPMAPTEP300MAPK1
SCHEMBL17877269 0.84 BRD4 (0.60) BRD4CREBBPLMNAMAPTP2RX7

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-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS INC (US) 2020-06-11 US disclosed
US-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2019-01-31 US disclosed
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2017-06-08 US disclosed
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2017-06-08 US disclosed
US-9550779-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2017-01-24 US disclosed
US-9550779-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2017-01-24 US disclosed
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 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-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS BRD4 1214/4885CREBBP 134/4885ALDH1A1 1370/4885
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS BRD4 1214/4885CREBBP 134/4885ALDH1A1 1370/4885
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS BRD4 1214/4885CREBBP 134/4885ALDH1A1 1370/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS BRD4 1214/4885CREBBP 134/4885ALDH1A1 1370/4885

“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.