SCHEMBL22470199

SCHEMBL22470199

O=C(NO)C1CCN(CCc2cccc(Br)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.50
CACNA1G O43497 2/20 0.48
HTR2C P28335 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
SIGMAR1 Q99720 6/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CARM1 Q86X55 2/20 0.46
PRMT6 Q96LA8 2/20 0.46
PRMT8 Q9NR22 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL22483279 0.87 HTR2A (0.56) HTR2AHTR2CHTR7HTR6SIGMAR1
SCHEMBL7411682 0.85 HTR2A (0.68) HTR2ACACNA1GSIGMAR1HDAC1HDAC8
SCHEMBL22470270 0.85 ALDH1A1 (0.50) HTR2ACACNA1GHTR2CHTR7HTR6
Lithium Ion SCHEMBL22470304 0.85 HTR2A (0.50) HTR2AHTR2CHTR7HTR6SIGMAR1
SCHEMBL22470212 0.84 HTR2A (0.52) HTR2ACACNA1GHTR2CHTR7HTR6
SCHEMBL22470375 0.81 HTR2A (0.46) HTR2ACACNA1GSIGMAR1HDAC1HDAC8
SCHEMBL22483280 0.81 HTR2A (0.46) HTR2AHTR2CHTR7HTR6SIGMAR1
SCHEMBL22470259 0.77 ALDH1A1 (0.62) HTR2ACACNA1GSIGMAR1KMT2AMEN1
SCHEMBL19086400 0.76 FAAH (0.56) HTR2ASIGMAR1KMT2AMEN1
SCHEMBL18609760 0.74 CA12 (0.57) SIGMAR1CARM1PRMT6PRMT8KMT2A

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
US-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2022-05-19 US disclosed
US-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2022-05-19 US disclosed
EP-3941900-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 Deutsches Krebsforschungszentrum (DE) 2022-01-26 EP disclosed
WO-2020193431-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2020-10-01 WO 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 4528/4885CACNA1G 3794/4885HTR2C 4743/4885

“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.