SCHEMBL3224428

SCHEMBL3224428

CN1CCN(CCC(NC(=O)NCCc2ccccc2)c2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)nc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.40
CTSK P43235 2/20 0.38
SUCNR1 Q9BXA5 2/20 0.38
DRD2 P14416 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
FGFR1 P11362 1/20 0.36
NAMPT P43490 1/20 0.36
CCR3 P51677 1/20 0.36
HIF1A Q16665 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
KMT2A Q03164 1/20 0.35
SCD O00767 1/20 0.35
CCR2 P41597 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ABL1 P00519 1/20 0.34
SRC P12931 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
SCHEMBL3223327 0.96 SIGMAR1 (0.43) SIGMAR1CTSKSUCNR1DRD2POLB
SCHEMBL1496924 0.95 SIGMAR1 (0.39) SIGMAR1CTSKSUCNR1DRD2POLB
SCHEMBL1496947 0.91 SIGMAR1 (0.41) SIGMAR1CTSKSUCNR1DRD2FGFR1
SCHEMBL3218374 0.89 SIGMAR1 (0.40) SIGMAR1CTSKPOLBKMT2AKDM4E
SCHEMBL3228203 0.88 SIGMAR1 (0.40) SIGMAR1CTSKTSHRCCR3CCR2
SCHEMBL3228228 0.88 SIGMAR1 (0.40) SIGMAR1CTSKPOLBKMT2AKDM4E
SCHEMBL1496925 0.88 CD274 (0.39) SIGMAR1CTSKKMT2ACCR2KDM4E
SCHEMBL3227868 0.87 SIGMAR1 (0.39) SIGMAR1CTSKPOLBKMT2AKDM4E
SCHEMBL4223072 0.87 HDAC1 (0.44) POLBTSHRCCR3HIF1AKMT2A
SCHEMBL3233800 0.86 UTS2R (0.46) CTSKHIF1A

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 3 patents. 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
EP-2135620-A1 OCULAR HYPOTENSIVE AGENT COMPRISING COMPOUND CAPABLE OF INHIBITING HISTONE DEACETYLASE AS ACTIVE INGREDIENT Santen Pharmaceutical Co., Ltd (JP) 2009-12-23 EP disclosed
EP-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 EP 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 SIGMAR1 4153/4885CTSK 1080/4885SUCNR1 1843/4885

“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.