SCHEMBL3286767

SCHEMBL3286767

COc1cc(OC)c(C(=O)N[C@H]2[C@H](c3ccc(C)cc3)C2(C)C)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR4 Q13639 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNMA1 Q12791 1/20 0.39
POLB P06746 2/20 0.39
AHR P35869 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
ATM Q13315 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL3286759 1.00 KMT2A (0.41) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL3286762 1.00 KMT2A (0.41) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL3289203 0.93 KDM4E (0.46) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL3289196 0.93 KDM4E (0.46) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL3289194 0.93 KDM4E (0.46) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL3290945 0.91 KMT2A (0.44) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL3290949 0.91 KMT2A (0.44) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL3290953 0.91 KMT2A (0.44) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL3295195 0.90 KDM4E (0.47) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL3295193 0.90 KDM4E (0.47) KMT2AKDM4EALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207540-B1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2014-02-26 EP claimed
US-7723391-B2 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-05-25 US claimed
EP-2207540-B1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2014-02-26 EP disclosed
CN-101815512-B Cyclopropyl aryl amide derivatives and uses thereof HOFFMANN LA ROCHE 2013-04-24 CN disclosed
CN-101815512-A cyclopropyl aryl amide derivatives and uses thereof HOFFMANN LA ROCHE 2010-08-25 CN disclosed
US-7723391-B2 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-05-25 US disclosed
US-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 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 (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-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof AR, ADRA2A, ADRA1A KMT2A 2189/4885KDM4E 3029/4885ALDH1A1 244/4885

“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.