SCHEMBL6863197

SCHEMBL6863197

Nc1cc(C(=O)NC(O)CCO)cc(C(=O)NC(O)CCO)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ALPL P05186 1/20 0.32
POLB P06746 1/20 0.32
ALPI P09923 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALPG P10696 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
CASP6 P55212 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7653658 0.79 KDM4E (0.44) KDM4EALDH1A1POLBGAAL3MBTL1
SCHEMBL6864033 0.78 GAA (0.47) RAB9AALDH1A1LMNAGAAMAPT
SCHEMBL4609315 0.77 TAS1R3 (0.38) KDM4ETAS1R3TAS1R1NPC1RAB9A
SCHEMBL8501576 0.75 HPGD (0.50) NPC1RAB9AALDH1A1LMNAGAA
SCHEMBL15358753 0.73 TAS1R3 (0.38) KDM4ETAS1R3TAS1R1NPC1RAB9A
SCHEMBL28453112 0.72 FOLH1 (0.44) TAS1R3TAS1R1PRKACACDK8GSK3A
SCHEMBL19312017 0.71 TAS1R3 (0.35) KDM4ETAS1R3TAS1R1LMNAPOLB
SCHEMBL28443884 0.71 HDAC1 (0.46) TAS1R3TAS1R1HDAC1
SCHEMBL11341058 0.71 KDM4E (0.58) KDM4ENSD2ALDH1A1LMNAALPL
SCHEMBL4581666 0.71 NTRK2 (0.56) KDM4EALDH1A1POLBMAPTHTT

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 5 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
EP-1131280-A1 PREPARATION OF 5-AMINO-ISOPHTHALAMIDES Amersham Health AS (NO) 2001-09-12 EP disclosed
WO-2000029372-A1 PREPARATION OF 5-AMINO-ISOPHTHALAMIDES NYCOMED IMAGING AS (NO) 2000-05-25 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-20020095053-A1 Preparation of 5-amino-isophthalamides DNPH1, DDAH1, DOHH KDM4E 3057/4885TAS1R3 3554/4885TAS1R1 4033/4885

“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.