SCHEMBL6921822

SCHEMBL6921822

O=C(Cl)c1ccc2c(=O)n3c(nc2c1)CCCCCC3

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.69
CYP2C19 P33261 2/20 0.69
POLB P06746 1/20 0.68
NPC1 O15118 6/20 0.67
RAB9A P51151 6/20 0.67
ALDH1A1 P00352 5/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
L3MBTL1 Q9Y468 1/20 0.65
MEN1 O00255 2/20 0.64
USP2 O75604 2/20 0.64
KMT2A Q03164 2/20 0.64
TP53 P04637 1/20 0.64
MAPT P10636 1/20 0.64
ALOX15 P16050 1/20 0.64
STAT1 P42224 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
PKM P14618 2/20 0.63
MAPK1 P28482 1/20 0.62
NSD2 O96028 1/20 0.62
TSHR P16473 1/20 0.62

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
SCHEMBL2052740 0.89 ALDH1A1 (0.72) LMNACYP2C19POLBNPC1RAB9A
SCHEMBL9994639 0.88 LMNA (0.69) LMNACYP2C19POLBNPC1RAB9A
SCHEMBL11088892 0.87 ALDH1A1 (0.70) LMNACYP2C19POLBNPC1RAB9A
SCHEMBL11087150 0.84 NPC1 (0.66) LMNACYP2C19NPC1RAB9AALDH1A1
SCHEMBL6921350 0.83 NPC1 (0.49) LMNACYP2C19POLBNPC1RAB9A
SCHEMBL6922495 0.82 NPC1 (0.53) LMNACYP2C19POLBNPC1RAB9A
SCHEMBL8969198 0.82 ACHE (0.71) LMNACYP2C19POLBNPC1RAB9A
SCHEMBL6921939 0.81 ALDH1A1 (0.69) LMNACYP2C19POLBNPC1RAB9A
SCHEMBL6922200 0.81 RAB9A (0.81) LMNACYP2C19POLBNPC1RAB9A
SCHEMBL8968942 0.79 ALDH1A1 (0.80) LMNACYP2C19POLBNPC1RAB9A

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-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-02-21 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 LMNA 4613/4885CYP2C19 4711/4885POLB 4462/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 LMNA 4613/4885CYP2C19 4711/4885POLB 4462/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 LMNA 4613/4885CYP2C19 4711/4885POLB 4462/4885

“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.