SCHEMBL16990645

SCHEMBL16990645

CC(NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Oc2ccnc(C(=O)O)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.55
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
KDR P35968 4/20 0.50
BRAF P15056 3/20 0.50
PDGFRA P16234 3/20 0.50
RET P07949 3/20 0.50
FLT3 P36888 3/20 0.50
EPHX2 P34913 3/20 0.50
GSK3B P49841 2/20 0.50
RIPK2 O43353 2/20 0.50

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
SCHEMBL15573129 0.90 RAF1 (0.62) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL16990699 0.87 RAF1 (0.45) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15573188 0.83 RAF1 (0.58) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL170976 0.80 RAF1 (0.80) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL16990647 0.80 RAB9A (0.52) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL17000015 0.80 RAF1 (0.56) RAF1KDRBRAFPDGFRARET
SCHEMBL14680564 0.79 RAF1 (0.60) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15574685 0.79 KMT2A (0.64) RAF1DDR2MEN1KMT2A
SCHEMBL14067061 0.78 KDR (0.61) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13603827 0.78 KDR (0.60) RAF1KDRBRAFPDGFRARET

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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 RAF1 3072/4885HDAC3 1134/4885HDAC4 2417/4885

“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.