SCHEMBL1912285

SCHEMBL1912285

CC1CCC(NCC(=O)Nc2ccc(-c3ccc(C(=O)N[C@H](C(=O)NO)[C@@H](N)O)cc3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MGLL Q99685 1/20 0.35
GAA P10253 2/20 0.35
ATR Q13535 1/20 0.35
PTPN1 P18031 1/20 0.34

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
SCHEMBL1109373 0.91 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL1109409 0.88 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL1109208 0.87 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL1195831 0.85 MEN1 (0.50) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL1912158 0.83 MEN1 (0.54) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL1109388 0.83 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL404608 0.83 MEN1 (0.42) MEN1KMT2AALDH1A1LMNA
SCHEMBL1109201 0.83 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL1109153 0.83 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL1109405 0.83 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4ELMNA

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-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 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-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MEN1 2414/4885KMT2A 4800/4885ALDH1A1 782/4885

“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.