SCHEMBL16990654

SCHEMBL16990654

Cc1cc(NC(=O)NCc2ccc(Oc3ccnc(C(=O)O)c3)cc2)no1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
LMNA P02545 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAF1 P04049 3/20 0.46
KDR P35968 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
P2RX3 P56373 3/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
GSK3B P49841 1/20 0.43
TP53 P04637 1/20 0.43
GCK P35557 1/20 0.42
DDR2 Q16832 1/20 0.42

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
SCHEMBL15574569 0.90 KDR (0.58) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL16990706 0.87 RAF1 (0.62) RAF1KDR
SCHEMBL15574733 0.86 HDAC1 (0.63) HDAC1HDAC6LMNANPC1RAB9A
SCHEMBL16990603 0.86 HDAC1 (0.59) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL16990623 0.85 P2RX3 (0.49) HDAC1HDAC6SMN1; SMN2P2RX3GSK3B
SCHEMBL15573219 0.82 GRM5 (0.52) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL15574560 0.81 NPC1 (0.58) NPC1RAB9ASMN1; SMN2RAF1KDR
SCHEMBL15574905 0.81 GCK (0.47) NPC1RAB9AKDRGSK3BGCK
SCHEMBL16990607 0.80 MEN1 (0.53) HDAC1HDAC6RAF1KDRP2RX3
SCHEMBL16990688 0.78 DDR2 (0.59) MAPTP2RX3CYP1A2CYP2D6CYP2C19

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 620/4885LMNA 2196/4885

“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.