SCHEMBL16017647

SCHEMBL16017647

CC(C)N1C(=O)CC(c2ccccc2)C1=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
TSHR P16473 1/20 0.62
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP19A1 P11511 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
BRD4 O60885 3/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.38
ALOX12 P18054 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
SCHEMBL13684325 0.79 BRD4 (0.56) KMT2ATSHRMEN1ALDH1A1GAA
SCHEMBL25118291 0.78 KMT2A (0.49) KMT2ATSHRMEN1SMN1; SMN2L3MBTL1
Phensuximide SCHEMBL35334 0.77 KMT2A (1.00) KMT2ATSHRMEN1SMN1; SMN2L3MBTL1
Phensuximide SCHEMBL35333 0.77 KMT2A (1.00) KMT2ATSHRMEN1SMN1; SMN2L3MBTL1
SCHEMBL8295097 0.76 KMT2A (0.57) KMT2ATSHRMEN1SMN1; SMN2L3MBTL1
SCHEMBL14880904 0.75 KDM1A (0.53) KMT2AMEN1SMN1; SMN2ALDH1A1GAA
SCHEMBL10245999 0.73 BRD4 (0.52) KMT2ATSHRMEN1SMN1; SMN2ALDH1A1
SCHEMBL2065512 0.73 BRD4 (0.52) KMT2ATSHRMEN1SMN1; SMN2ALDH1A1
SCHEMBL2924606 0.73 KMT2A (0.62) KMT2ATSHRMEN1SMN1; SMN2L3MBTL1
SCHEMBL7000477 0.73 KMT2A (0.62) KMT2ATSHRMEN1SMN1; SMN2L3MBTL1

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-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2018-05-31 US disclosed
US-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2018-05-31 US disclosed
US-20170369443-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2017-12-28 US disclosed
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS THE BROAD INSTITUTE, INC. (US) 2014-09-11 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 (3 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-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 KMT2A 2469/4885TSHR 4696/4885MEN1 4000/4885
US-20170369443-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX KMT2A 963/4885TSHR 4290/4885MEN1 4032/4885
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 KMT2A 2469/4885TSHR 4696/4885MEN1 4000/4885

“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.