SCHEMBL3290953

SCHEMBL3290953

COc1ccc([C@H]2[C@H](NC(=O)c3cc(Cl)c(OC)cc3OC)C2(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.40
POLB P06746 2/20 0.40
CASP3 P42574 1/20 0.40
ATM Q13315 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
HPGD P15428 1/20 0.40
HTR4 Q13639 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL3290945 1.00 KMT2A (0.44) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL3290949 1.00 KMT2A (0.44) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL3289203 0.93 KDM4E (0.46) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL3289196 0.93 KDM4E (0.46) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL3289194 0.93 KDM4E (0.46) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL3286762 0.91 KMT2A (0.41) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL3286767 0.91 KMT2A (0.41) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL3286759 0.91 KMT2A (0.41) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL3295193 0.90 KDM4E (0.47) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL3295195 0.90 KDM4E (0.47) KMT2AMAPTMEN1ALDH1A1KDM4E

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 9 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
US-7723391-B2 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-05-25 US disclosed
US-7723391-B2 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-05-25 US 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
US-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 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 2189/4885MAPT 2449/4885MEN1 2297/4885

“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.