SCHEMBL3223327

SCHEMBL3223327

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.43
CTSK P43235 2/20 0.39
FGFR1 P11362 1/20 0.38
KMT2A Q03164 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DRD2 P14416 4/20 0.36
DRD3 P35462 2/20 0.36
KDM1A O60341 1/20 0.36
ACKR3 P25106 1/20 0.36
CACNA1F O60840 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
TACR2 P21452 1/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
HRH2 P25021 1/20 0.36
ADRA1D P25100 1/20 0.36
TACR1 P25103 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL3224428 0.96 SIGMAR1 (0.40) SIGMAR1CTSKFGFR1KMT2ASUCNR1
SCHEMBL1496947 0.95 SIGMAR1 (0.41) SIGMAR1CTSKFGFR1KMT2ASUCNR1
SCHEMBL3218374 0.93 SIGMAR1 (0.40) SIGMAR1CTSKKMT2AKDM4EHSD17B10
SCHEMBL3228203 0.92 SIGMAR1 (0.40) SIGMAR1CTSKKDM4EKDM1ATSHR
SCHEMBL3228228 0.91 SIGMAR1 (0.40) SIGMAR1CTSKKMT2AKDM4EHSD17B10
SCHEMBL1496924 0.91 SIGMAR1 (0.39) SIGMAR1CTSKFGFR1SUCNR1KDM4E
SCHEMBL3227868 0.90 SIGMAR1 (0.39) SIGMAR1CTSKKMT2AKDM4EHSD17B10
SCHEMBL1496988 0.88 SIGMAR1 (0.39) SIGMAR1CTSKKMT2AKDM4EHSD17B10
SCHEMBL4229607 0.88 HDAC1 (0.43) KMT2AKDM4EHSD17B10DYRK1A
SCHEMBL1496874 0.86 SIGMAR1 (0.38) SIGMAR1CTSKKMT2AKDM4EHSD17B10

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 1080/4885FGFR1 761/4885

“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.