SCHEMBL17868285

SCHEMBL17868285

O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3nccs3)c2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
LIMK1 P53667 4/20 0.43
LIMK2 P53671 4/20 0.43
P2RX7 Q99572 2/20 0.42
PAK1 Q13153 1/20 0.42
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL17877290 0.86 NPC1 (0.50) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL17877300 0.86 NPC1 (0.52) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL17868270 0.86 NPC1 (0.53) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL17877306 0.85 NPC1 (0.48) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL17877293 0.85 NPC1 (0.48) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL17877322 0.83 NPC1 (0.47) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL17877288 0.83 NPC1 (0.47) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL17877280 0.83 GPR142 (0.53) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL17877212 0.83 NPC1 (0.57) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL17877289 0.83 NPC1 (0.50) NPC1RAB9ACASP3SENP8SENP7

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 15 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-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-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2019-01-31 US disclosed
US-10077264-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-09-18 US disclosed
EP-3240787-A2 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS Novira Therapeutics Inc. (US) 2017-11-08 EP 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-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-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
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 (5 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 NPC1 49/4885RAB9A 2324/4885CASP3 812/4885
US-10077264-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS NPC1 49/4885RAB9A 2324/4885CASP3 812/4885
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS NPC1 49/4885RAB9A 2324/4885CASP3 812/4885
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS NPC1 49/4885RAB9A 2324/4885CASP3 812/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS NPC1 49/4885RAB9A 2324/4885CASP3 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.