SCHEMBL4913896

SCHEMBL4913896

O=C(NO)c1nc2cnccc2n1Cc1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
BRD4 O60885 1/20 0.41
GPR6 P46095 4/20 0.40
TBXA2R P21731 1/20 0.40
CYP2D6 P10635 1/20 0.39
PTAFR P25105 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
MAOB P27338 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL4914226 0.91 HDAC3 (0.47) HDAC1HDAC6HDAC7HDAC3HDAC4
SCHEMBL4903864 0.86 BRD4 (0.42) HDAC1HDAC6HDAC7HDAC3HDAC4
SCHEMBL4911360 0.71 ROCK2 (0.37) HDAC1HDAC6HDAC7HDAC3HDAC4
SCHEMBL4904741 0.70 TP53 (0.56)
SCHEMBL8567946 0.70 HDAC3 (0.57) HDAC1HDAC6HDAC7HDAC3HDAC4
SCHEMBL8324186 0.69 HDAC3 (0.56) HDAC1HDAC6HDAC7HDAC3HDAC4
SCHEMBL4914461 0.68 HDAC6 (0.40) HDAC1HDAC6HDAC7HDAC3HDAC4
SCHEMBL5851549 0.66 HDAC6 (0.46) HDAC1HDAC6HDAC7HDAC3HDAC4
SCHEMBL4913900 0.66 HDAC6 (0.48) HDAC1HDAC6HDAC7HDAC4HDAC2
SCHEMBL1684191 0.66 PPARG (0.52) HDAC1HDAC6HDAC7HDAC3HDAC4

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-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 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-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB HDAC1 18/4885HDAC6 570/4885HDAC7 66/4885

“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.