SCHEMBL2606723

SCHEMBL2606723

CC(=O)Nc1ccc(C(=O)Nc2cc(CCc3ccccc3)ccc2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
HDAC1 Q13547 3/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
ALDH1A1 P00352 1/20 0.48
PTPN1 P18031 1/20 0.48

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
SCHEMBL2134237 0.87 HDAC1 (0.69) CYP2C9CACNA1BAPBA1RXFP1KMT2A
SCHEMBL14810361 0.81 CYP1A2 (0.60) CYP2C9KMT2AHDAC1HDAC8HDAC6
SCHEMBL2132831 0.80 RXFP1 (0.48) CYP2C9CACNA1BAPBA1RXFP1KMT2A
SCHEMBL10961901 0.80 PTPN1 (0.70) CYP2C9CACNA1BAPBA1RXFP1KMT2A
SCHEMBL13181139 0.79 HDAC1 (0.59) CYP2C9RXFP1KMT2AMEN1HDAC1
SCHEMBL14701415 0.79 HPGD (0.70) CACNA1BAPBA1KMT2AMEN1HDAC1
SCHEMBL19462541 0.77 HDAC1 (0.73) CACNA1BAPBA1RXFP1KMT2AMEN1
SCHEMBL19462596 0.77 HDAC1 (0.73) CACNA1BAPBA1KMT2AMEN1HDAC1
SCHEMBL2606722 0.77 HDAC1 (0.59) CACNA1BAPBA1KMT2AMEN1HDAC1
SCHEMBL17599502 0.77 CYP1A2 (0.58) CYP2C9HDAC1HDAC8HDAC6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2012-04-26 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-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY HDAC2, HDAC1, HDAC3 CYP2C9 4875/4885CACNA1B 1148/4885APBA1 960/4885

“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.