SCHEMBL6864033

SCHEMBL6864033

O=C(NC(O)CCO)c1cc(C(=O)NC(O)CCO)cc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 1/20 0.44
ALOX5 P09917 2/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP3A4 P08684 2/20 0.41
MARS2 Q96GW9 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL14920940 0.81 MAPT (0.48) GAAMAPTALDH1A1RAB9AALOX5
SCHEMBL6863197 0.78 KDM4E (0.33) GAAMAPTALDH1A1RAB9ALMNA
SCHEMBL14934959 0.75 SMN1; SMN2 (0.44) GAAMAPTALDH1A1RAB9AALOX5
SCHEMBL4581245 0.74 LMNA (0.59) GAAMAPTALDH1A1ALOX5MEN1
SCHEMBL7653658 0.74 KDM4E (0.44) GAAALDH1A1
SCHEMBL6865356 0.74 GAA (0.51) GAAMAPTALDH1A1ALOX5MEN1
SCHEMBL28060524 0.74 ICMT (0.56) MAPTALDH1A1RAB9AALOX5MEN1
SCHEMBL11227972 0.73 GAA (0.45) GAAMAPTALDH1A1RAB9AALOX5
SCHEMBL31148959 0.73 SMN1; SMN2 (0.57) GAAMAPTALDH1A1ALOX5MEN1
SCHEMBL31148954 0.73 SMN1; SMN2 (0.57) GAAMAPTALDH1A1ALOX5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131280-B1 PREPARATION OF 5-AMINO-ISOPHTHALAMIDES AMERSHAM HEALTH AS (NO) 2004-08-11 EP disclosed
US-6441235-B1 DI-LOWER-ALKYL-5-NITROISOPHTHALATE REACTS WITH A DIHYDROXY-MONOALKYLAMINE IN THE PRESENCE OF A BASIC CATALYST AND THEN CATALYLYTICALLY HYDROGENATED, WITHOUT ISOLATING THE 5-NITRO-N,N'-BIS(R)ISOPHTHALAMIDE INTERMEDIATE AMERSHA, HEALTH AS (NO) 2002-08-27 US disclosed
US-20020095053-A1 Preparation of 5-amino-isophthalamides GE HEALTHCARE AS (NO) 2002-07-18 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-20020095053-A1 Preparation of 5-amino-isophthalamides DNPH1, DDAH1, DOHH GAA 4260/4885MAPT 4168/4885ALDH1A1 892/4885

“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.