SCHEMBL22493090

SCHEMBL22493090

NCCNc1ccc(C(=O)NO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.56
HDAC3 O15379 4/20 0.56
NCOR2 Q9Y618 2/20 0.56
HDAC1 Q13547 8/20 0.53
HDAC8 Q9BY41 5/20 0.49
HDAC11 Q96DB2 2/20 0.49
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MAOB P27338 1/20 0.47
HDAC2 Q92769 4/20 0.47
MEN1 O00255 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
IDO1 P14902 1/20 0.45
ALOX15 P16050 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL17315503 0.81 PRSS1 (0.48) HDAC6HDAC1HDAC8KMT2AHSD17B10
SCHEMBL455642 0.81 FNTA (0.49) TSHR
SCHEMBL24075977 0.79 MAPT (0.46) MEN1KMT2ACA12CA1CA9
SCHEMBL14880165 0.79 SCN5A (0.56) HDAC6HDAC3NCOR2HDAC1HDAC8
SCHEMBL749730 0.77 MAOB (0.60) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL17208763 0.77 ALDH1A1 (0.44) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL16771604 0.77 NFKB1 (0.47) HDAC3HDAC1CYP1A2TSHRNFKB1
SCHEMBL2408925 0.77 HDAC1 (0.56) HDAC6HDAC3NCOR2HDAC1HDAC8
SCHEMBL21659729 0.76 POLB (0.68) MEN1KMT2ACA12CA1CA9
SCHEMBL30317460 0.76 MAPK13 (0.56) MEN1KMT2ACA12CA1CA9

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-20200306382-A1 Growth Hormones with Prolonged In-Vivo Efficacy NOVO NORDISK HEALTHCARE AG (CH) 2020-10-01 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-20200306382-A1 Growth Hormones with Prolonged In-Vivo Efficacy GHRHR, GHITM, SHBG HDAC6 1749/4885HDAC3 2297/4885NCOR2 2353/4885

“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.