SCHEMBL16620370

SCHEMBL16620370

O=C(c1ccc(-c2nc3ccccc3[nH]2)cc1)N1CC[CH]CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
KMT2A Q03164 1/20 0.60
HTR2B P41595 7/20 0.59
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
NFKB1 P19838 1/20 0.56
RAB9A P51151 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HPSE Q9Y251 2/20 0.55
LANCL2 Q9NS86 1/20 0.53
PARP1 P09874 1/20 0.52
DHODH Q02127 1/20 0.52
ATR Q13535 1/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51

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
SCHEMBL16619560 0.85 MGLL (0.65) HPGDKMT2A
SCHEMBL16619621 0.82 HTR2B (0.60) HPGDKDM4EALDH1A1KMT2AHTR2B
SCHEMBL16150341 0.82 FASN (0.63) HPGDKDM4EALDH1A1KMT2AHTR2B
SCHEMBL17390003 0.81 HTR2B (0.57) HPGDKDM4EALDH1A1KMT2AHTR2B
SCHEMBL16150702 0.81 CHEK2 (0.56) HPGDKDM4EALDH1A1KMT2AHTR2B
Trifluoroacetic Acid SCHEMBL16149784 0.81 ATR (0.58) HPGDKDM4EALDH1A1KMT2AHTR2B
SCHEMBL15154918 0.80 HTR2B (0.60) HPGDKDM4EALDH1A1KMT2AHTR2B
SCHEMBL17706589 0.79 KDM4E (0.70) HPGDKDM4EALDH1A1KMT2AHTR2B
SCHEMBL1664216 0.77 KDM4E (0.97) HPGDKDM4EALDH1A1KMT2ANPC1
SCHEMBL11331533 0.76 KDM4E (0.73) HPGDKDM4EALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052483-A1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY AND FOR EXTENDING THE HALF-LIFE OF A THERAPEUTIC AGENT GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-08-10 EP claimed
US-20160221962-A1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY AND FOR EXTENDING THE HALF-LIFE OF A THERAPEUTIC AGENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-08-04 US claimed
WO-2015049651-A1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY AND FOR EXTENDING THE HALF-LIFE OF A THERAPEUTIC AGENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-04-09 WO claimed
EP-3052483-B1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY GLAXOSMITHKLINE IP DEV LTD (GB) 2019-02-06 EP disclosed
US-9938243-B2 Compounds for affinity chromatography and for extending the half-life of a therapeutic agent GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-10 US disclosed
US-20170369448-A1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY AND FOR EXTENDING THE HALF-LIFE OF A THERAPEUTIC AGENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-28 US disclosed
US-9809558-B2 Compounds for affinity chromatography and for extending the half-life of a therapeutic agent GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-11-07 US disclosed
EP-3052483-A1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY AND FOR EXTENDING THE HALF-LIFE OF A THERAPEUTIC AGENT GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-08-10 EP disclosed
US-20160221962-A1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY AND FOR EXTENDING THE HALF-LIFE OF A THERAPEUTIC AGENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-08-04 US disclosed
WO-2015049651-A1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY AND FOR EXTENDING THE HALF-LIFE OF A THERAPEUTIC AGENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-04-09 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-20160221962-A1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY AND FOR EXTENDING THE HALF-LIFE OF A THERAPEUTIC AGENT ALB, HDGF, VEGFA HPGD 2162/4885KDM4E 4577/4885ALDH1A1 3017/4885
US-20170369448-A1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY AND FOR EXTENDING THE HALF-LIFE OF A THERAPEUTIC AGENT ALB, HDGF, VEGFA HPGD 2162/4885KDM4E 4577/4885ALDH1A1 3017/4885

“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.