SCHEMBL7411682

SCHEMBL7411682

O=C(NO)C1CCN(CCc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.68
HDAC1 Q13547 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
SIGMAR1 Q99720 1/20 0.60
ACHE P22303 1/20 0.56
CACNA1G O43497 1/20 0.56
OPRM1 P35372 1/20 0.55
CCR3 P51677 1/20 0.55

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
SCHEMBL22470259 0.92 ALDH1A1 (0.62) HTR2ASIGMAR1CACNA1G
SCHEMBL22470212 0.87 HTR2A (0.52) HTR2AHDAC1HDAC8HDAC6SIGMAR1
SCHEMBL31582791 0.87 HTR2A (0.66) HTR2AHDAC1HDAC8HDAC6SIGMAR1
SCHEMBL22470199 0.85 HTR2A (0.50) HTR2AHDAC1HDAC8HDAC6SIGMAR1
SCHEMBL22470297 0.85 MEN1 (0.62) HDAC8
SCHEMBL27300983 0.84 HTR2A (0.75) HTR2ASIGMAR1ACHEOPRM1CCR3
SCHEMBL1519356 0.84 HTR2A (0.75) HTR2ASIGMAR1ACHEOPRM1CCR3
SCHEMBL22470198 0.83 DPP7 (0.58) HTR2AHDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL1405913 0.83 HTR2A (0.73) HTR2ASIGMAR1ACHEOPRM1CCR3
SCHEMBL5367392 0.82 HTR2A (0.71) HTR2ASIGMAR1ACHEOPRM1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054858-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-29 EP claimed
WO-1999042436-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-08-26 WO claimed
US-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2022-05-19 US disclosed
WO-2020193431-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2020-10-01 WO 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-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 HDAC10, HDAC1, HDAC11 HTR2A 4528/4885HDAC1 2/4885HDAC8 8/4885

“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.