SCHEMBL10040153

SCHEMBL10040153

O=[N+]([O-])c1cc(Cl)c2ncccc2c1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.65
ALDH1A1 P00352 9/20 0.65
KMT2A Q03164 9/20 0.65
MEN1 O00255 8/20 0.65
KDM4E B2RXH2 6/20 0.65
TDP1 Q9NUW8 5/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
LMNA P02545 5/20 0.65
L3MBTL1 Q9Y468 5/20 0.65
HTT P42858 3/20 0.65
PKM P14618 3/20 0.65
HSP90AA1 P07900 3/20 0.65
OPRK1 P41145 2/20 0.65
CTSB P07858 2/20 0.55
GAA P10253 2/20 0.55
IDO1 P14902 2/20 0.55
TDO2 P48775 2/20 0.55
CASP6 P55212 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 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
SCHEMBL1682758 0.83 MAPT (0.69) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL6609076 0.81 ALDH1A1 (0.77) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL11972798 0.79 MAPT (0.62) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL17597346 0.79 KMT2A (0.70) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL11973053 0.79 MEN1 (0.60) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL10521547 0.79 ALDH1A1 (1.00) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL2111476 0.79 MAPT (1.00) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL2469833 0.78 ALDH1A1 (1.00) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL21882146 0.77 KMT2A (0.67) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL15302617 0.76 TDP1 (0.50) MAPTALDH1A1KMT2AMEN1KDM4E

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
EP-3072882-A1 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2016-09-28 EP disclosed
EP-3072882-A1 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2016-09-28 EP disclosed
US-8829002-B2 Substituted methyl amines, serotonin 5-HT6 receptor antagonists, methods for production and use thereof IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2014-09-09 US disclosed
US-8829002-B2 Substituted methyl amines, serotonin 5-HT6 receptor antagonists, methods for production and use thereof IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2014-09-09 US disclosed
US-8829002-B2 Substituted methyl amines, serotonin 5-HT6 receptor antagonists, methods for production and use thereof IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2014-09-09 US disclosed
EP-2657225-A2 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR THE PRODUCTION AND USE THEREOF Ivachtchenko, Alexandre Vasilievich (RU) 2013-10-30 EP disclosed
EP-2657225-A2 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR THE PRODUCTION AND USE THEREOF Ivachtchenko, Alexandre Vasilievich (RU) 2013-10-30 EP disclosed
US-20130267536-A1 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2013-10-10 US disclosed
US-20130267536-A1 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2013-10-10 US disclosed
US-20130267536-A1 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2013-10-10 US disclosed
WO-2012087182-A2 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR THE PRODUCTION AND USE THEREOF АЛЛА ХЕМ, ЛЛС (US) 2012-06-28 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 (1 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-20130267536-A1 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR PRODUCTION AND USE THEREOF HTR6, HTR1F, HTR1A MAPT 2227/4885ALDH1A1 2294/4885KMT2A 842/4885

“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.