SCHEMBL176660

SCHEMBL176660

CCCCCCCn1c2c(c3ccccc31)CNCC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.66
SIRT1 Q96EB6 3/20 0.66
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
NTSR1 P30989 1/20 0.58
NLRP3 Q96P20 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KDM4E B2RXH2 3/20 0.56
PABPC1 P11940 2/20 0.56
APOBEC3A P31941 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
MAOA P21397 4/20 0.55
MAOB P27338 4/20 0.55
PKM P14618 1/20 0.51
ATM Q13315 1/20 0.51
HDAC1 Q13547 1/20 0.49

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
SCHEMBL9615110 0.88 NPC1 (0.54) SIRT2SIRT1NPC1RAB9ANTSR1
Hydrochloric Acid SCHEMBL9615105 0.87 KDM4E (0.53) SIRT2SIRT1NPC1RAB9ANTSR1
SCHEMBL11755016 0.87 NPC1 (0.54) SIRT2SIRT1NPC1RAB9ANTSR1
SCHEMBL2357949 0.84 HDAC1 (0.55) SIRT2SIRT1RAB9AALDH1A1KDM4E
SCHEMBL30873508 0.84 HDAC1 (0.55) SIRT2SIRT1RAB9AALDH1A1KDM4E
SCHEMBL15549479 0.83 SIRT2 (0.68) SIRT2SIRT1NTSR1NLRP3HRH1
SCHEMBL15550724 0.83 SIRT2 (0.67) SIRT2SIRT1NPC1RAB9ANTSR1
SCHEMBL2192008 0.81 HDAC1 (0.56) SIRT2SIRT1ALDH1A1KDM4EMAOA
SCHEMBL1160742 0.81 HDAC1 (0.49) SIRT2SIRT1ALDH1A1HDAC1HDAC6
SCHEMBL8106969 0.81 HDAC1 (0.53) SIRT2SIRT1KDM4EMAOAMAOB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424366-B1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2016-02-17 EP disclosed
US-8927571-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-01-06 US disclosed
US-8741919-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-03 US disclosed
US-20130190331-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-07-05 US disclosed
EP-2424366-A1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2012-03-07 EP disclosed
WO-2011019417-A1 PYRIDO [4, 3-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-02-17 WO 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 (2 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-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C SIRT2 3365/4885SIRT1 2931/4885NPC1 3150/4885
US-20130190331-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C SIRT2 3365/4885SIRT1 2931/4885NPC1 3150/4885

“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.