SCHEMBL8208686

SCHEMBL8208686

CCOC(=O)c1cccc(C(=O)NC(C)C)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.73
MAPT P10636 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 3/20 0.49
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
CNR1 P21554 1/20 0.45
LMNA P02545 1/20 0.44
P2RX7 Q99572 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL1478915 0.85 CYP1A2 (1.00) CYP1A2MAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL185177 0.82 CYP1A2 (0.86) CYP1A2MAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL24742673 0.81 LMNA (0.46) CYP1A2L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL12853621 0.81 CYP1A2 (0.49) CYP1A2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL21639419 0.79 CYP1A2 (0.86) CYP1A2MAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL20729958 0.79 BRD4 (0.55) L3MBTL1NPC1RAB9AKDM4EALDH1A1
SCHEMBL2832191 0.79 CYP1A2 (0.86) CYP1A2MAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL3105049 0.79 KDM4E (0.61) KDM4EALDH1A1GAATDP1POLB
SCHEMBL9938921 0.78 CYP1A2 (0.72) CYP1A2MAPTL3MBTL1NPC1RAB9A
SCHEMBL22701452 0.78 CYP1A2 (0.83) CYP1A2MAPTL3MBTL1SMN1; SMN2NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132178-B1 JNK INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
WO-2008082487-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO 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-20100179141-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK5, MAPK15 CYP1A2 2591/4885MAPT 3158/4885L3MBTL1 2541/4885

“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.