SCHEMBL16990699

SCHEMBL16990699

CC(NC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Oc2ccnc(C(=O)O)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
P2RX3 P56373 5/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
KDR P35968 3/20 0.40
RIPK2 O43353 2/20 0.40
ABCB11 O95342 2/20 0.40
ABL1 P00519 2/20 0.40

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
SCHEMBL15573239 0.90 RAF1 (0.52) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL16990645 0.87 RAF1 (0.55) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15574685 0.84 KMT2A (0.64) RAF1KMT2AALDH1A1POLBDDR2
SCHEMBL16990596 0.80 DDR2 (0.47) RAF1P2RX3DDR2CA9
SCHEMBL15573129 0.78 RAF1 (0.62) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15575322 0.75 KMT2A (0.62) RAF1KMT2AALDH1A1KDRRIPK2
SCHEMBL13603827 0.75 KDR (0.60) RAF1KMT2AKDRRIPK2ABCB11
SCHEMBL15573188 0.74 RAF1 (0.58) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL17000015 0.73 RAF1 (0.56) RAF1KMT2AKDRRIPK2ABCB11
SCHEMBL17000014 0.72 LMNA (0.62) RAF1KMT2AALDH1A1KDRABL1

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.