SCHEMBL2979003

SCHEMBL2979003

Cc1nc(N2CCc3c(oc4ccccc34)C2)ncc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN11 Q06124 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MTHFD2 P13995 1/20 0.38
ADRA2A P08913 11/20 0.38
ADRA2B P18089 11/20 0.38
ADRA2C P18825 11/20 0.38
ADRA1A P35348 11/20 0.38
HDAC1 Q13547 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
SCHEMBL32671633 0.79 PTPN11 (0.60) RBP4MEN1KMT2APTPN11POLB
SCHEMBL2972417 0.78 RBP4 (0.41) RBP4PTPN11POLBSMN1; SMN2ADRA2A
SCHEMBL2979002 0.77 HDAC1 (0.43) MEN1KMT2AMTHFD2HDAC1
SCHEMBL2981055 0.76 HDAC1 (0.55) HDAC1
SCHEMBL2978283 0.70 MPL (0.41) RBP4POLBSMN1; SMN2
SCHEMBL32671622 0.69 POLB (0.75) PTPN11POLBSMN1; SMN2
SCHEMBL2979164 0.69 BAZ2B (0.54) MEN1KMT2ASMN1; SMN2HDAC1
SCHEMBL1013949 0.69 POLB (0.59) RBP4KMT2APTPN11POLBSMN1; SMN2
SCHEMBL5507692 0.69 MTHFD2 (0.52) MEN1KMT2ASMN1; SMN2MTHFD2HDAC1
SCHEMBL30331571 0.68 POLB (0.78) PTPN11POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 RBP4 4150/4885MEN1 3925/4885KMT2A 82/4885

“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.