SCHEMBL12418868

SCHEMBL12418868

CCn1cc(C(=O)C(C)(C)C)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
RET P07949 1/20 0.35
GLA P06280 1/20 0.35
SCD O00767 1/20 0.35
CA5A P35218 1/20 0.35
MAPK1 P28482 2/20 0.35
TGM2 P21980 1/20 0.34
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
CCNK O75909 1/20 0.33

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
SCHEMBL12392022 0.86 NR1H4 (0.40) ALDH1A1LMNAHPGDSMN1; SMN2NR1H4
SCHEMBL21206352 0.83 TSHR (0.40) KDM4EALDH1A1LMNASMN1; SMN2NR1H4
SCHEMBL25446383 0.80 NR1H4 (0.38) KDM5CKDM2AKDM3AALDH1A1LMNA
SCHEMBL18307624 0.80 GLA (0.46) ALDH1A1LMNAHPGDSMN1; SMN2GLA
SCHEMBL6072289 0.79 ALDH1A1 (0.45) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL23675961 0.79 MAPK1 (0.37) ALDH1A1LMNASMN1; SMN2NR1H4GLA
SCHEMBL22623634 0.78 ALDH1A1 (0.46) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL12417866 0.78 KDM4E (0.42) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL26414505 0.77 ALDH1A1 (0.34) KDM5CKDM2AKDM3AALDH1A1LMNA
SCHEMBL3279219 0.76 MME (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 KDM4E 3925/4885KDM5C 4202/4885KDM4C 4174/4885

“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.