SCHEMBL5835259

SCHEMBL5835259

O=C(Nc1cc(Cl)ccc1O)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.65
MEN1 O00255 4/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
MAPT P10636 2/20 0.65
AURKA O14965 1/20 0.65
PDPK1 O15530 1/20 0.65
JAK2 O60674 1/20 0.65
GMNN O75496 1/20 0.65
ALDH1A1 P00352 1/20 0.65
EGFR P00533 1/20 0.65
LMNA P02545 1/20 0.65
TP53 P04637 1/20 0.65
CYP1A2 P05177 1/20 0.65
LYN P07948 1/20 0.65
CHRM2 P08172 1/20 0.65
CYP3A4 P08684 1/20 0.65
ADRA2A P08913 1/20 0.65
CYP2D6 P10635 1/20 0.65

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
SCHEMBL5834638 0.89 KCNMA1 (0.61) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL5834665 0.86 KMT2A (0.74) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL5835033 0.86 KCNMA1 (0.58) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL28454501 0.86 KMT2A (0.73) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL26095536 0.86 KMT2A (0.77) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL5834721 0.84 TMPRSS4 (0.61) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL8057066 0.84 MEN1 (0.78) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL5834488 0.84 RORC (0.60) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL30100393 0.84 MEN1 (0.78) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL5834919 0.83 MEN1 (0.63) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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-7138425-B2 Phthalimide carboxylic acid derivatives OXFORD GLYCOSCIENCE (UK) LTD. (GB) 2006-11-21 US disclosed
US-20050203153-A1 Phthalimide carboxylic acid derivatives OXFORD GLYCOSCIENCE (UK) LTD. (GB) 2005-09-15 US disclosed
EP-1483261-A1 PHTHALIMIDE CARBOXYLIC ACID DERIVATIVES Oxford GlycoSciences (UK) Ltd, Attn: Mary Gadsden (GB) 2004-12-08 EP disclosed
WO-2003074516-A1 PHTHALIMIDE CARBOXYLIC ACID DERIVATIVES OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-09-12 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-20050203153-A1 Phthalimide carboxylic acid derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, IDH1 KMT2A 1011/4885MEN1 693/4885SMN1; SMN2 3147/4885

“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.