SCHEMBL4853634

SCHEMBL4853634

COc1cc([N+](=O)[O-])c(N)cc1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
RECQL P46063 1/20 0.45
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
CTSD P07339 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 2/20 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
SCHEMBL4853623 1.00 RAB9A (0.49) RAB9ANPC1SMN1; SMN2HSD17B10CYP1A2
SCHEMBL1146111 0.87 RAB9A (0.52) RAB9ANPC1SMN1; SMN2HSD17B10CYP1A2
SCHEMBL5951645 0.83 HTT (0.47) RAB9ANPC1SMN1; SMN2HSD17B10MEN1
SCHEMBL636601 0.82 RAB9A (0.64) RAB9ANPC1SMN1; SMN2CYP1A2MEN1
SCHEMBL11556679 0.81 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2CYP1A2MEN1
SCHEMBL11556677 0.81 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2CYP1A2MEN1
SCHEMBL16418160 0.81 RAB9A (0.56) RAB9ANPC1SMN1; SMN2HSD17B10CYP1A2
SCHEMBL16418161 0.81 RAB9A (0.56) RAB9ANPC1SMN1; SMN2HSD17B10CYP1A2
SCHEMBL4850761 0.79 KMT2A (0.45) RAB9ANPC1SMN1; SMN2HSD17B10CYP1A2
SCHEMBL4850772 0.79 KMT2A (0.45) RAB9ANPC1SMN1; SMN2HSD17B10CYP1A2

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-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 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 (2 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 RAB9A 2046/4885NPC1 3001/4885SMN1; SMN2 3469/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 RAB9A 1853/4885NPC1 3492/4885SMN1; SMN2 3562/4885

“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.