SCHEMBL3225520

SCHEMBL3225520

COc1ccccc1NC(=O)NC(CCCCCN1CCOCC1)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
DRD2 P14416 3/20 0.40
MAPK14 Q16539 2/20 0.40
LMNA P02545 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MEN1 O00255 1/20 0.39
AHR P35869 1/20 0.39
KMT2A Q03164 1/20 0.39
TACR2 P21452 1/20 0.39
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
TSHR P16473 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
SCHEMBL3218892 0.91 QPCT (0.41) ALDH1A1PDCD1CD274MEN1KMT2A
SCHEMBL3224363 0.90 TACR2 (0.44) ALDH1A1CD274LMNATACR2MAPT
SCHEMBL4223633 0.88 CD274 (0.37) ALDH1A1POLBKDM4ETDP1PDCD1
SCHEMBL3234115 0.88 CD274 (0.40) ALDH1A1POLBKDM4ECD274DRD2
SCHEMBL3219036 0.87 CD274 (0.41) ALDH1A1POLBKDM4ECD274LMNA
SCHEMBL3230756 0.87 EPHX2 (0.46) POLBCD274
SCHEMBL3230156 0.87 JAK2 (0.38) ALDH1A1POLBPDCD1CD274LMNA
SCHEMBL3225953 0.86 EPHX2 (0.45) CD274TACR2
SCHEMBL3227868 0.86 SIGMAR1 (0.39) ALDH1A1POLBKDM4ECD274LMNA
SCHEMBL3263866 0.86 CD274 (0.40) ALDH1A1CD274LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 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-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 ALDH1A1 1686/4885POLB 2112/4885KDM4E 347/4885

“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.