SCHEMBL17877280

SCHEMBL17877280

O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccncc3)c2C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 1/20 0.53
NPC1 O15118 1/20 0.53
CASP3 P42574 1/20 0.53
RAB9A P51151 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
P2RX7 Q99572 1/20 0.51
MAPK1 P28482 2/20 0.50
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
BRD4 O60885 1/20 0.48
CREBBP Q92793 1/20 0.48

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
SCHEMBL17877212 0.92 NPC1 (0.57) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL17868278 0.90 NPC1 (0.50) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL17868240 0.90 NPC1 (0.52) GPR142NPC1CASP3RAB9ASENP8
SCHEMBL17868144 0.90 MAPK1 (0.60) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL17868151 0.90 NPC1 (0.52) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL17868150 0.88 NPC1 (0.50) GPR142NPC1CASP3RAB9ASENP8
SCHEMBL17868270 0.87 NPC1 (0.53) GPR142NPC1CASP3RAB9ASENP8
SCHEMBL17868247 0.87 NPC1 (0.57) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL17868170 0.87 CREBBP (0.52) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL17868218 0.87 NPC1 (0.51) NPC1CASP3RAB9ASENP8SENP7

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 GPR142 4271/4885NPC1 49/4885CASP3 812/4885
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS GPR142 4271/4885NPC1 49/4885CASP3 812/4885
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS GPR142 4271/4885NPC1 49/4885CASP3 812/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS GPR142 4271/4885NPC1 49/4885CASP3 812/4885

“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.