SCHEMBL4567645

SCHEMBL4567645

CC(C)(C)C(=O)Nc1cc(Cl)ccc1C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
RAB9A P51151 2/20 0.55
PDK1 Q15118 2/20 0.50
PDK2 Q15119 2/20 0.50
PDK3 Q15120 2/20 0.50
PDK4 Q16654 2/20 0.50
HTT P42858 4/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
CETP P11597 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ATM Q13315 1/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 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
SCHEMBL7224039 0.85 KDM4E (0.54) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL3792617 0.84 KMT2A (0.58) KMT2AMEN1RAB9APDK1PDK2
SCHEMBL7470294 0.83 MEN1 (0.74) KMT2AMEN1RAB9APDK1PDK2
SCHEMBL31718129 0.79 PDK1 (0.69) KMT2AMEN1RAB9APDK1PDK2
SCHEMBL14254880 0.79 PDK1 (0.69) KMT2AMEN1RAB9APDK1PDK2
SCHEMBL1307490 0.79 KDM4E (0.63) KMT2AMEN1RAB9AKDM4EALDH1A1
SCHEMBL18088737 0.78 POLB (0.58) KMT2AMEN1RAB9APDK1PDK2
SCHEMBL2212062 0.78 KMT2A (0.52) KMT2AMEN1RAB9APDK1PDK2
SCHEMBL2212088 0.78 KMT2A (0.52) KMT2AMEN1RAB9APDK1PDK2
SCHEMBL16992886 0.77 RAB9A (0.51) KMT2AMEN1RAB9APDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045414-B2 Pyrrolidin-2-ones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-02 US disclosed
US-9045414-B2 Pyrrolidin-2-ones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-02 US disclosed
US-20120122839-A1 NOVEL PYRROLIDIN-2-ONES PRIAXON AG (DE) 2012-05-17 US disclosed
US-8119623-B2 Pyrrolidin-2-ones PRIAXON AG (DE) 2012-02-21 US disclosed
US-20100075949-A1 NOVEL PYRROLIDIN-2-ONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 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 (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-20100075949-A1 NOVEL PYRROLIDIN-2-ONES ING2, HMGB2, API5 KMT2A 2222/4885MEN1 1975/4885RAB9A 3032/4885
US-20120122839-A1 NOVEL PYRROLIDIN-2-ONES ING2, HMGB2, API5 KMT2A 2222/4885MEN1 1975/4885RAB9A 3032/4885

“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.