SCHEMBL15096384

SCHEMBL15096384

[N-]=[N+]=NCCOCCOCCOCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.57
▸ KMT2A Q03164 11/20 0.57
▸ L3MBTL1 Q9Y468 6/20 0.57
▸ MAPK1 P28482 5/20 0.57
▸ MAPT P10636 4/20 0.57
▸ CRHBP P24387 4/20 0.57
▸ CRHR2 Q13324 4/20 0.57
▸ HTT P42858 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ LMNA P02545 4/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ RECQL P46063 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ KEAP1 Q14145 3/20 0.54
▸ NFE2L2 Q16236 3/20 0.54
▸ TNNI3 P19429 1/20 0.54
▸ TNNT2 P45379 1/20 0.54
▸ TNNC1 P63316 1/20 0.54

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
SCHEMBL12660395 0.90 MEN1 (0.67) MEN1KMT2AL3MBTL1MAPK1MAPT
SCHEMBL12660526 0.84 MEN1 (0.63) MEN1KMT2AL3MBTL1MAPK1MAPT
SCHEMBL30459062 0.80 CYP1B1 (0.53) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL30455266 0.80 CYP1B1 (0.53) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL15096386 0.80 CYP1B1 (0.53) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL26349189 0.78 MGMT (0.42) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL12660394 0.78 HDAC6 (0.65) MEN1KMT2AL3MBTL1MAPK1MAPT
SCHEMBL22699960 0.77 MEN1 (0.80) MEN1KMT2AL3MBTL1MAPK1MAPT
SCHEMBL28197565 0.77 HDAC6 (0.64) MEN1KMT2AL3MBTL1MAPK1MAPT
SCHEMBL12660336 0.76 HDAC6 (0.66) MEN1KMT2AL3MBTL1MAPK1MAPT

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-20130178609-A1 MODULAR CONSTRUCTION OF LIPOPHOSPHOLIPIDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2013-07-11 — — US disclosed
US-20130178609-A1 MODULAR CONSTRUCTION OF LIPOPHOSPHOLIPIDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2013-07-11 — — 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 (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-20130178609-A1 MODULAR CONSTRUCTION OF LIPOPHOSPHOLIPIDS SGMS2, SGMS1, DEGS1 MEN1 1948/4885KMT2A 4494/4885L3MBTL1 389/4885

“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.

Send feedback