SCHEMBL2961956

SCHEMBL2961956

Cc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.54
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
PKM P14618 2/20 0.51
HTT P42858 1/20 0.51
POLB P06746 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
GFER P55789 1/20 0.42
MYC P01106 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
SCHEMBL6283140 0.91 MAPT (0.49) PTGS2ALDH1A1MAPTPKMHTT
SCHEMBL7210133 0.91 PTGS2 (0.62) PTGS2ALDH1A1MAPTPKMHTT
SCHEMBL3026019 0.88 PTGS2 (0.46) PTGS2ALDH1A1MAPTPKMHTT
SCHEMBL7215254 0.86 PTGS2 (0.78) PTGS2ALDH1A1MAPTKDM4EHPGD
SCHEMBL3026333 0.86 PTGS2 (0.78) PTGS2ALDH1A1MAPTKDM4EHPGD
SCHEMBL5314020 0.84 CHRNA7 (0.60) PTGS2
SCHEMBL3026121 0.84 CHRNA7 (0.60) PTGS2
SCHEMBL3034062 0.83 PTGS2 (0.46) PTGS2ALDH1A1MAPTPKMHTT
SCHEMBL3031646 0.83 CA12 (0.58) PTGS2ALDH1A1MAPTPKMHTT
SCHEMBL2320353 0.83 POLB (0.65) ALDH1A1MAPTHTTPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657037-B2 Pyrrole compounds with silicon incorporation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-05-23 US disclosed
US-9657037-B2 Pyrrole compounds with silicon incorporation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-05-23 US disclosed
US-9657037-B2 Pyrrole compounds with silicon incorporation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-05-23 US disclosed
US-20160115181-A1 NOVEL PYRROLE COMPOUNDS WITH SILICON INCORPORATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-04-28 US disclosed
US-20160115181-A1 NOVEL PYRROLE COMPOUNDS WITH SILICON INCORPORATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-04-28 US disclosed
US-20160115181-A1 NOVEL PYRROLE COMPOUNDS WITH SILICON INCORPORATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-04-28 US disclosed
US-7763602-B2 Pyrrole derivatives as antimycobacterial compounds LUPIN LIMITED (IN) 2010-07-27 US disclosed
US-7691837-B2 Pyrrole derivatives as antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US disclosed
US-20080242676-A1 PYRROLE DERIVATIVES AS ANTIMYCOBACTERIAL COMPOUNDS LUPIN LIMITED (IN) 2008-10-02 US disclosed
EP-1857442-A2 Novel antimycobacterial compounds Lupin Limited (IN) 2007-11-21 EP disclosed
US-20050107370-A1 Pyrrole derivatives as antimycobacterial compounds LUPIN LIMITED (IN) 2005-05-19 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 (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-20160115181-A1 NOVEL PYRROLE COMPOUNDS WITH SILICON INCORPORATION PYCR1, MIF, PGLS PTGS2 1056/4885ALDH1A1 3109/4885MAPT 2240/4885
US-20080242676-A1 PYRROLE DERIVATIVES AS ANTIMYCOBACTERIAL COMPOUNDS PGLS, SDHA, SDHB PTGS2 1573/4885ALDH1A1 369/4885MAPT 931/4885
US-20050107370-A1 Pyrrole derivatives as antimycobacterial compounds PGLS, SDHA, SDHB PTGS2 1573/4885ALDH1A1 369/4885MAPT 931/4885

“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.