SCHEMBL17877262

SCHEMBL17877262

Cc1ccc(OCC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.70
CREBBP Q92793 1/20 0.70
NPSR1 Q6W5P4 4/20 0.54
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 1/20 0.54
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.49
TAAR1 Q96RJ0 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
FKBP1A P62942 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL17877239 0.93 BRD4 (0.71) BRD4CREBBPMAPTMAPK1ALDH1A1
SCHEMBL17868180 0.93 BRD4 (0.73) BRD4CREBBPMAPTMAPK1ALDH1A1
SCHEMBL17877230 0.90 BRD4 (0.67) BRD4CREBBPMAPTSMN1; SMN2MAPK1
SCHEMBL17877235 0.90 BRD4 (0.67) BRD4CREBBPMAPTSMN1; SMN2MAPK1
SCHEMBL17877271 0.89 BRD4 (0.66) BRD4CREBBPNPSR1MAPTSMN1; SMN2
SCHEMBL17877216 0.89 CREBBP (0.66) BRD4CREBBPNPSR1MAPTSMN1; SMN2
SCHEMBL17877241 0.88 CREBBP (0.65) BRD4CREBBPNPSR1MAPTSMN1; SMN2
SCHEMBL17877265 0.88 BRD4 (0.64) BRD4CREBBPMAPTMAPK1ALDH1A1
SCHEMBL17877221 0.88 BRD4 (0.64) BRD4CREBBPMAPTMAPK1ALDH1A1
SCHEMBL17877224 0.87 BRD4 (0.63) BRD4CREBBPMAPTMAPK1ALDH1A1

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 134/4885NPSR1 3516/4885
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS BRD4 1214/4885CREBBP 134/4885NPSR1 3516/4885
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS BRD4 1214/4885CREBBP 134/4885NPSR1 3516/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS BRD4 1214/4885CREBBP 134/4885NPSR1 3516/4885

“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.