SCHEMBL17877245

SCHEMBL17877245

Cc1c(Cl)cccc1NC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59
TAS1R2 Q8TE23 1/20 0.59
BRD4 O60885 1/20 0.58
CREBBP Q92793 1/20 0.58
P2RX7 Q99572 4/20 0.55
MET P08581 5/20 0.50
MAPK1 P28482 1/20 0.48
GALR3 O60755 1/20 0.47
NR2F2 P24468 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL17877382 0.91 BRD4 (0.60) TAS1R3TAS1R1TAS1R2BRD4CREBBP
SCHEMBL17877277 0.90 P2RX7 (0.59) TAS1R3TAS1R1TAS1R2BRD4CREBBP
SCHEMBL17877302 0.83 TRPV1 (0.57) TAS1R3TAS1R1TAS1R2BRD4CREBBP
SCHEMBL17868232 0.81 BRD4 (0.66) BRD4CREBBPP2RX7METMAPK1
SCHEMBL17877381 0.81 BRD4 (0.60) TAS1R3TAS1R1TAS1R2BRD4CREBBP
SCHEMBL17877281 0.81 CREBBP (0.55) TAS1R3TAS1R1TAS1R2BRD4CREBBP
SCHEMBL17877212 0.80 NPC1 (0.57) BRD4CREBBPP2RX7METMAPK1
SCHEMBL17868294 0.80 BRD4 (0.71) BRD4CREBBPP2RX7MAPK1
SCHEMBL17877307 0.80 CREBBP (0.54) BRD4CREBBPP2RX7MAPK1
SCHEMBL17877294 0.79 CREBBP (0.53) TAS1R3TAS1R1TAS1R2BRD4CREBBP

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 TAS1R3 4702/4885TAS1R1 4761/4885TAS1R2 4770/4885
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS TAS1R3 4702/4885TAS1R1 4761/4885TAS1R2 4770/4885
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS TAS1R3 4702/4885TAS1R1 4761/4885TAS1R2 4770/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS TAS1R3 4702/4885TAS1R1 4761/4885TAS1R2 4770/4885

“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.