SCHEMBL17877274

SCHEMBL17877274

CC(Oc1cccc(Cl)c1)C(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.56
BRD4 O60885 1/20 0.56
P2RX7 Q99572 5/20 0.51
MAPK1 P28482 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
NPC1 O15118 1/20 0.46
HTR7 P34969 1/20 0.43
EP300 Q09472 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 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
SCHEMBL17868281 0.91 CREBBP (0.63) CREBBPBRD4P2RX7MAPK1NPC1
SCHEMBL17877244 0.85 BRD4 (0.58) CREBBPBRD4P2RX7MAPK1NPC1
SCHEMBL17877217 0.83 BRD4 (0.63) CREBBPBRD4P2RX7MAPK1NPC1
SCHEMBL7093107 0.78 MAPK1 (0.65) CREBBPBRD4MAPK1HTR7EP300
SCHEMBL17877212 0.77 NPC1 (0.57) CREBBPBRD4P2RX7MAPK1NPC1
SCHEMBL17868242 0.76 BRD4 (0.66) CREBBPBRD4P2RX7MAPK1NPC1
SCHEMBL23841127 0.75 BRD4 (0.63) CREBBPBRD4P2RX7MAPK1NPC1
SCHEMBL23841125 0.75 BRD4 (0.63) CREBBPBRD4P2RX7MAPK1NPC1
SCHEMBL10818694 0.75 MAPK1 (0.77) CREBBPBRD4P2RX7MAPK1EP300
SCHEMBL17877188 0.75 BRD4 (0.65) CREBBPBRD4P2RX7MAPK1NPC1

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 CREBBP 134/4885BRD4 1214/4885P2RX7 3671/4885
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS CREBBP 134/4885BRD4 1214/4885P2RX7 3671/4885
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS CREBBP 134/4885BRD4 1214/4885P2RX7 3671/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS CREBBP 134/4885BRD4 1214/4885P2RX7 3671/4885

“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.