SCHEMBL3158166

SCHEMBL3158166

O=C(OCC(Cl)(Cl)Cl)c1ccc(CBr)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
MAPK1 P28482 2/20 0.44
HIF1A Q16665 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 3/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL9153593 0.87 MAPK1 (0.55) KMT2AMEN1MAPK1HIF1AMAPT
SCHEMBL13479917 0.83 KMT2A (0.44) KMT2AMEN1MAPK1HIF1AKDM4E
SCHEMBL11685344 0.81 MAPK1 (0.47) KMT2AMEN1MAPK1HIF1AKDM4E
SCHEMBL28636737 0.81 KMT2A (0.53) KMT2AMEN1MAPK1CES2CES1
SCHEMBL8335056 0.79 L3MBTL1 (0.41) MAPK1CES2CES1CYP4F2CYP4A11
SCHEMBL9067962 0.79 LMNA (0.59) KMT2AMEN1MAPK1HIF1AMAPT
SCHEMBL9420320 0.78 MAPK1 (0.71) KMT2AMAPK1HIF1AKDM4EALDH1A1
SCHEMBL245250 0.77 CA1 (0.63) KMT2AMEN1CYP4F2CYP4A11MAPT
SCHEMBL2500365 0.75 CES2 (0.55) KMT2AMEN1CES2CES1CYP4F2
SCHEMBL636176 0.75 CES2 (0.55) KMT2AMEN1CES2CES1CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834010-B2 Modulators of peripheral 5-HT receptors SERODUS AS (NO) 2010-11-16 US disclosed
US-7834010-B2 Modulators of peripheral 5-HT receptors SERODUS AS (NO) 2010-11-16 US disclosed
US-7834010-B2 Modulators of peripheral 5-HT receptors SERODUS AS (NO) 2010-11-16 US disclosed
EP-1701951-B1 MODULATORS OF PERIPHERAL 5-HT RECEPTORS SERODUS AS (NO) 2010-02-10 EP disclosed
US-20090029979-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2009-01-29 US disclosed
US-20090029979-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2009-01-29 US disclosed
US-20090029979-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2009-01-29 US disclosed
EP-1902044-A1 5-HTX MODULATORS Bio Medisinsk Innovasjon AS (NO) 2008-03-26 EP disclosed
US-20070254874-A1 Modulators of Preripheral 5-Ht Receptors BIO-MEDISINSK INNOVASJON (NO) 2007-11-01 US disclosed
US-20070254874-A1 Modulators of Preripheral 5-Ht Receptors BIO-MEDISINSK INNOVASJON (NO) 2007-11-01 US disclosed
US-20070254874-A1 Modulators of Preripheral 5-Ht Receptors BIO-MEDISINSK INNOVASJON (NO) 2007-11-01 US disclosed
WO-2007007072-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2007-01-18 WO disclosed
WO-2007007072-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2007-01-18 WO disclosed
EP-1701951-A2 MODULATORS OF PERIPHERAL 5-HT RECEPTORS Bio-Medisinsk Innovasjon AS (NO) 2006-09-20 EP disclosed
WO-2005061483-A2 MODULATORS OF PERIPHERAL 5-HT RECEPTORS BIO-MEDISINSK INNOVASJON AS (NO) 2005-07-07 WO disclosed
WO-2005061483-A2 MODULATORS OF PERIPHERAL 5-HT RECEPTORS BIO-MEDISINSK INNOVASJON AS (NO) 2005-07-07 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-20090029979-A1 5-HTX MODULATORS HTR7, HTR5A, HTR2C KMT2A 3292/4885MEN1 3533/4885MAPK1 3190/4885
US-20070254874-A1 Modulators of Preripheral 5-Ht Receptors HTR4, HTR5A, HTR6 KMT2A 3799/4885MEN1 1689/4885MAPK1 1928/4885

“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.