SCHEMBL4904692

SCHEMBL4904692

N[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)N1Cc2ccccc2C1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 9/20 0.66
DPP7 Q9UHL4 5/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
DPP8 Q6V1X1 4/20 0.48
DPP9 Q86TI2 3/20 0.48
PDE4B Q07343 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
GRM8 O00222 1/20 0.45
GRM6 O15303 1/20 0.45
GRM4 Q14833 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
SCHEMBL4904700 1.00 HDAC8 (0.66) HDAC8DPP7HDAC3HDAC1HDAC2
SCHEMBL4773522 0.89 HDAC8 (0.58) HDAC8DPP7HDAC3HDAC1HDAC2
SCHEMBL4796631 0.86 HDAC8 (0.71) HDAC8DPP7HDAC3HDAC1HDAC2
SCHEMBL4771058 0.86 HDAC8 (0.71) HDAC8DPP7HDAC3HDAC1HDAC2
SCHEMBL14025186 0.80 HDAC8 (1.00) HDAC8DPP7HDAC3HDAC1HDAC2
SCHEMBL8242087 0.80 HDAC8 (1.00) HDAC8DPP7HDAC3HDAC1HDAC2
SCHEMBL4770242 0.80 HDAC8 (0.72) HDAC8DPP7HDAC3HDAC1HDAC2
SCHEMBL4770253 0.80 HDAC8 (0.72) HDAC8DPP7HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL6165480 0.79 HDAC8 (1.00) HDAC8DPP7HDAC3HDAC1HDAC2
SCHEMBL4776980 0.78 KMT2A (0.49) MEN1KMT2AKDM4EMAPTGRM8

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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US claimed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 HDAC8 16/4885DPP7 921/4885HDAC3 4/4885

“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.