SCHEMBL13616561

SCHEMBL13616561

C/C=N/N1CCN(Cc2cc(-c3ccc(C)c(F)c3)no2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
DRD2 P14416 13/20 0.35
DRD4 P21917 13/20 0.35
DRD3 P35462 13/20 0.35
THRB P10828 1/20 0.33
CXCR1 P25024 1/20 0.33
IGF1R P08069 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL13616473 0.91 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13616471 0.87 DRD2 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13616475 0.85 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13616468 0.82 NOTUM (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13616467 0.82 SMN1; SMN2 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13616474 0.82 MAPT (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13616483 0.81 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13616477 0.81 MAPT (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13616469 0.80 NOTUM (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13616481 0.78 CYP2A6 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 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-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS RIF1, ABCC1, HDAC6 HDAC3 6/4885HDAC4 30/4885HDAC1 15/4885

“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.