SCHEMBL509920

SCHEMBL509920

N#Cc1cc(Oc2cn[nH]c2)cc(-c2noc(C(F)(F)F)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.41
HDAC1 Q13547 12/20 0.41
HDAC8 Q9BY41 8/20 0.41
HDAC4 P56524 3/20 0.38
HDAC5 Q9UQL6 4/20 0.37
GRM5 P41594 1/20 0.34
NR1I2 O75469 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL509280 0.74 KCNH2 (0.41)
SCHEMBL24533836 0.73 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL2224130 0.71 HDAC4 (0.47) HDAC6HDAC1HDAC8HDAC4
SCHEMBL1347465 0.69 HDAC6 (0.36) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL16085909 0.65 NR1I2 (0.59) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL4733455 0.62 CYP19A1 (0.53)
SCHEMBL4181312 0.62 GRM5 (0.60) GRM5S1PR1S1PR5
SCHEMBL18824381 0.61 HDAC4 (0.66) HDAC6HDAC1HDAC8HDAC4
SCHEMBL21255718 0.61 S1PR1 (0.69) HDAC6HDAC1HDAC8HDAC5S1PR1
SCHEMBL2226598 0.61 HDAC4 (0.48) HDAC6HDAC1HDAC8HDAC4

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-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 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-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD HDAC6 3717/4885HDAC1 1786/4885HDAC8 3323/4885

“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.