SCHEMBL4949013

SCHEMBL4949013

CCOC(=O)C(=O)C1CN(Cc2ccccc2)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.45
TRPC5 Q9UL62 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 6/20 0.43
LMNA P02545 2/20 0.43
ADORA1 P30542 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CASP3 P42574 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL4948411 0.88 MEN1 (0.54) MEN1KMT2AALDH1A1TRPC5L3MBTL1
SCHEMBL25346548 0.87 S1PR5 (0.42) ALDH1A1LMNA
SCHEMBL183706 0.87 ALDH1A1 (0.52) MEN1KMT2AALDH1A1TRPC5L3MBTL1
Hydrochloric Acid SCHEMBL183705 0.86 ALDH1A1 (0.51) MEN1KMT2AALDH1A1L3MBTL1ATM
SCHEMBL27994359 0.80 S1PR5 (0.47) ALDH1A1MAPTGAACYP2D6
SCHEMBL16882456 0.80 S1PR5 (0.53) MEN1KMT2AALDH1A1
SCHEMBL8126942 0.79 CHRM2 (0.47) MEN1KMT2AALDH1A1
SCHEMBL22164692 0.78 SIGMAR1 (0.48) MEN1KMT2AALDH1A1TRPC5L3MBTL1
SCHEMBL184071 0.78 MEN1 (0.56) MEN1KMT2AALDH1A1L3MBTL1ATM
SCHEMBL9830344 0.77 S1PR1 (0.46) MEN1KMT2AALDH1A1L3MBTL1ATM

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
CN-115403595-A Nitrogen-containing heterocyclic compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-29 CN disclosed
EP-1885725-B1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-09-24 EP disclosed
EP-1885725-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-13 EP disclosed
WO-2006108488-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 WO disclosed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 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-20060235013-A1 Tricyclic azole derivatives CYP3A5, CYP3A43, CYP11B1 MEN1 516/4885KMT2A 2810/4885ALDH1A1 204/4885

“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.