SCHEMBL4592273

SCHEMBL4592273

CC(=O)[C@@H](O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP2C19 P33261 2/20 0.46
MMP2 P08253 2/20 0.45
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
CES1 P23141 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
SCHEMBL19369766 1.00 MAPK1 (0.50) MAPK1MEN1KMT2ANPC1LMNA
SCHEMBL1857686 0.84 LMNA (0.50) MEN1KMT2ANPC1LMNATSHR
SCHEMBL8953727 0.84 LMNA (0.50) MEN1KMT2ANPC1LMNATSHR
SCHEMBL1862886 0.84 LMNA (0.54) MAPK1MEN1KMT2ANPC1LMNA
SCHEMBL1857683 0.84 LMNA (0.50) MEN1KMT2ANPC1LMNATSHR
SCHEMBL4365310 0.84 LMNA (0.50) MEN1KMT2ANPC1LMNATSHR
SCHEMBL19361684 0.83 KMT2A (0.50) MAPK1MEN1KMT2ANPC1LMNA
SCHEMBL14524001 0.83 LOXL2 (0.52) MAPK1MEN1KMT2ANPC1LMNA
SCHEMBL16131783 0.83 LOXL2 (0.52) MAPK1MEN1KMT2ANPC1LMNA
SCHEMBL25518745 0.83 KMT2A (0.52) MAPK1MEN1KMT2ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311631-A1 Biosynthetic Production of 4-Amino 4-Deoxychorismate (Adc) and [3R,4R]-4-Amino-3-Hydroxycyclohexa-1,5-Diene-1-Carboxylic Acid (3,4-Cha) DSM IP ASSETS B. V. (NL) 2008-12-18 US disclosed
EP-1888760-A1 BIOSYNTHETIC PRODUCTION OF (5S,6S)-6-AMINO-5-HYDROXYCYCLOHEXA-1,3-DIENE-1-CARBOXYLIC ACID (2,3-CHA) DSM IP ASSETS B.V. (NL) 2008-02-20 EP disclosed
WO-2006128706-A1 BIOSYNTHETIC PRODUCTION OF (5S,6S)-6-AMINO-5-HYDROXYCYCLOHEXA-1,3-DIENE-1-CARBOXYLIC ACID (2,3-CHA) DSM IP ASSETS B.V. (NL) 2006-12-07 WO disclosed
EP-1728872-A1 Biosynthetic production of (5S,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylic acid (2,3-CHA) DSM IP Assets B.V. (NL) 2006-12-06 EP 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-20080311631-A1 Biosynthetic Production of 4-Amino 4-Deoxychorismate (Adc) and [3R,4R]-4-Amino-3-Hydroxycyclohexa-1,5-Diene-1-Carboxylic Acid (3,4-Cha) HPD, DHPS, PGD MAPK1 3910/4885MEN1 4879/4885KMT2A 1203/4885

“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.