SCHEMBL16990603

SCHEMBL16990603

Cc1ccnc(NC(=O)NCc2ccc(Oc3ccnc(C(=O)O)c3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
GSK3B P49841 1/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK10 P53779 2/20 0.48
GCK P35557 1/20 0.48
TP53 P04637 2/20 0.47
P2RX3 P56373 3/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
PKM P14618 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MITF O75030 1/20 0.45
MAPT P10636 1/20 0.45
XBP1 P17861 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL15574633 0.90 HDAC1 (0.60) HDAC1HDAC6GSK3BALDH1A1SMN1; SMN2
SCHEMBL16990623 0.89 P2RX3 (0.49) HDAC1HDAC6GSK3BSMN1; SMN2L3MBTL1
SCHEMBL15573117 0.88 DDR2 (0.56) HDAC1HDAC6GSK3BALDH1A1SMN1; SMN2
SCHEMBL15573219 0.86 GRM5 (0.52) HDAC1HDAC6GSK3BSMN1; SMN2GCK
SCHEMBL16990654 0.86 HDAC1 (0.55) HDAC1HDAC6GSK3BALDH1A1SMN1; SMN2
SCHEMBL15574905 0.84 GCK (0.47) GSK3BGCKRAB9ANPC1
SCHEMBL15575329 0.83 KMT2A (0.60) ALDH1A1SMN1; SMN2L3MBTL1TP53P2RX3
SCHEMBL15574560 0.83 NPC1 (0.58) SMN1; SMN2TP53RAB9ANPC1HTT
SCHEMBL16990706 0.81 RAF1 (0.62)
SCHEMBL16990607 0.80 MEN1 (0.53) HDAC1HDAC6GSK3BP2RX3HTT

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 HDAC1 2366/4885HDAC6 620/4885GSK3B 494/4885

“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.