SCHEMBL13786376

SCHEMBL13786376

Cc1ccc(C(C)(C)NCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.59
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.47
CYP3A4 P08684 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CA12 O43570 1/20 0.45
CYP1A2 P05177 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KIF11 P52732 2/20 0.41

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
SCHEMBL5147853 0.88 CYP3A4 (0.46) ATMMEN1KMT2ACYP3A4LMNA
SCHEMBL11669811 0.81 HTT (0.51) ATMMEN1KMT2AHTTSMN1; SMN2
SCHEMBL11663553 0.78 ATM (0.40) ATMMEN1KMT2AHTTCYP3A4
SCHEMBL11670172 0.78 BCHE (0.58) ATMMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL11880044 0.75 SMN1; SMN2 (0.51) MEN1KMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL4154636 0.74 IDO1 (0.50) ATMMEN1KMT2AHTTSMN1; SMN2
SCHEMBL22430335 0.74 TSHR (0.48) ATMMEN1KMT2AHTTSMN1; SMN2
SCHEMBL21058227 0.74 ATM (0.48) ATMMEN1KMT2AHTTSMN1; SMN2
SCHEMBL11670010 0.74 ALDH1A1 (0.52) MEN1KMT2AHTTSMN1; SMN2CYP3A4
SCHEMBL9089179 0.74 MEN1 (0.50) ATMMEN1KMT2AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560582-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-14 US disclosed
US-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-02-07 US disclosed
US-7247731-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-07-24 US disclosed
US-7223879-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-29 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-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon THEM6, SOD1, SLC30A6 ATM 4118/4885MEN1 1595/4885KMT2A 2881/4885

“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.