SCHEMBL11898554

SCHEMBL11898554

O/N=C1/CCc2cc(Br)ccc21

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
SRD5A1 P18405 2/20 0.50
SRD5A2 P31213 1/20 0.50
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PARP10 Q53GL7 1/20 0.43
PARP11 Q9NR21 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRAF P15056 6/20 0.43
MAPK3 P27361 5/20 0.43
MAPK1 P28482 5/20 0.43
CYP19A1 P11511 6/20 0.41
CYP11B1 P15538 6/20 0.41
CYP11B2 P19099 6/20 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
SCHEMBL2306868 1.00 HTT (0.62) HTTSRD5A1SRD5A2LMNAHSD17B10
SCHEMBL2306872 1.00 HTT (0.62) HTTSRD5A1SRD5A2LMNAHSD17B10
SCHEMBL1809334 0.89 HPGD (0.53) HTTSRD5A1SRD5A2PARP10PARP11
SCHEMBL16621035 0.89 HPGD (0.53) HTTSRD5A1SRD5A2PARP10PARP11
SCHEMBL11971363 0.89 HPGD (0.53) HTTSRD5A1SRD5A2PARP10PARP11
SCHEMBL595554 0.85 HTT (0.49) HTTSRD5A1SRD5A2LMNAHSD17B10
SCHEMBL595553 0.85 HTT (0.49) HTTSRD5A1SRD5A2LMNAHSD17B10
SCHEMBL595555 0.85 HTT (0.49) HTTSRD5A1SRD5A2LMNAHSD17B10
SCHEMBL204100 0.79 SRD5A1 (0.64) SRD5A1SRD5A2PARP10PARP11L3MBTL1
SCHEMBL31268305 0.79 SRD5A1 (0.64) SRD5A1SRD5A2PARP10PARP11L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180002346-A1 AZOLOBENZAZINE COMPOUNDS, COMPOSITIONS COMPRISING THESE COMPOUNDS AND THEIR USE FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2018-01-04 US disclosed
US-9809553-B2 Isoquinoline compounds, a process for their preparation, and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-11-07 US disclosed
US-20170137385-A1 ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-05-18 US disclosed
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US disclosed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 US disclosed
US-8633237-B2 Indane derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-21 US disclosed
US-20130109757-A1 PROCESS FOR THE PREPARATION OF PYRROLINES FROM GAMMA-NITROKETONES. USE OF THE GAMMA-NITROKETONES AS PESTICIDAL AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-02 US disclosed
US-20130109757-A1 PROCESS FOR THE PREPARATION OF PYRROLINES FROM GAMMA-NITROKETONES. USE OF THE GAMMA-NITROKETONES AS PESTICIDAL AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-02 US disclosed
US-20120202781-A1 INDANE DERIVATIVES MSD OSS B.V. (NL) 2012-08-09 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-20160157491-A1 Pesticide Compounds C1R, C1S, CBR3 HTT 1002/4885SRD5A1 1472/4885SRD5A2 1757/4885
US-20180002346-A1 AZOLOBENZAZINE COMPOUNDS, COMPOSITIONS COMPRISING THESE COMPOUNDS AND THEIR USE FOR CONTROLLING INVERTEBRATE PESTS DDT, CRY1, TH HTT 1809/4885SRD5A1 2561/4885SRD5A2 2333/4885
US-20170137385-A1 ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MYLK, MYLK2, MYLK3 HTT 3543/4885SRD5A1 3199/4885SRD5A2 3288/4885
US-20120202781-A1 INDANE DERIVATIVES CHRNA5, CHRNA2, GRIK5 HTT 1124/4885SRD5A1 1148/4885SRD5A2 1305/4885
US-20130109757-A1 PROCESS FOR THE PREPARATION OF PYRROLINES FROM GAMMA-NITROKETONES. USE OF THE GAMMA-NITROKETONES AS PESTICIDAL AGENTS NOS2, PDXK, GSTK1 HTT 2472/4885SRD5A1 1444/4885SRD5A2 1461/4885

“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.