SCHEMBL2192008

SCHEMBL2192008

OCCn1c2c(c3ccccc31)CNCC2

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SIRT2 Q8IXJ6 3/20 0.46
ALDH1A1 P00352 1/20 0.46
SIRT1 Q96EB6 1/20 0.45
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
CYP3A4 P08684 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MAP3K11 Q16584 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
SCHEMBL3242063 0.90 HTR2A (0.61) HDAC1HDAC6HTR2AHTR2CKDM4E
Hydrochloric Acid SCHEMBL6474408 0.89 KDM4E (0.62) HDAC1HDAC6HTR2AHTR2CKDM4E
SCHEMBL14963889 0.84 ALB (0.55) HDAC1HDAC6HTR2AHTR2CKDM4E
SCHEMBL2357949 0.82 HDAC1 (0.55) HDAC1HDAC6HTR2AHTR2CKDM4E
SCHEMBL30873508 0.82 HDAC1 (0.55) HDAC1HDAC6HTR2AHTR2CKDM4E
SCHEMBL8106969 0.82 HDAC1 (0.53) HDAC1HDAC6HTR2AHTR2CKDM4E
SCHEMBL16140207 0.81 SIRT2 (0.59) HTR2AHTR2CHSD17B10SIRT2SIRT1
Hydrochloric Acid SCHEMBL2244306 0.81 HDAC1 (0.52) HDAC1HDAC6HTR2AHTR2CKDM4E
SCHEMBL176660 0.81 SIRT2 (0.66) HDAC1HDAC6HTR2AHTR2CKDM4E
SCHEMBL5627158 0.81 KDM4E (0.67) HDAC1HDAC6KDM4EHSD17B10ALDH1A1

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-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2015-02-19 US disclosed
US-8907097-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 US disclosed
US-8906925-B2 Pyrido[4,3-B]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 US disclosed
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
EP-2346332-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES Medivation Technologies, Inc. (US) 2011-07-27 EP disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 US disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 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 (3 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-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A HDAC1 4026/4885HDAC6 3259/4885HTR2A 8/4885
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A HDAC1 4026/4885HDAC6 3259/4885HTR2A 8/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A HDAC1 4026/4885HDAC6 3259/4885HTR2A 8/4885

“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.