SCHEMBL5834875

SCHEMBL5834875

CCCNc1ccc([N+](=O)[O-])cc1-c1nc2cc(Cl)cc(Cl)c2o1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.44
APEX1 P27695 1/20 0.44
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
HPSE Q9Y251 3/20 0.37
PPARG P37231 2/20 0.36
CYP2C8 P10632 1/20 0.35
TP53 P04637 1/20 0.35
CETP P11597 1/20 0.35

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
SCHEMBL5834537 0.85 HPSE (0.48) RIPK1APEX1KMT2AMAPTMEN1
SCHEMBL5834480 0.82 MAPT (0.42) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL5835365 0.82 RIPK1 (0.44) RIPK1APEX1KMT2AMAPTMEN1
SCHEMBL5834739 0.80 RIPK1 (0.41) RIPK1KMT2AMAPTALDH1A1CCNT1
SCHEMBL5834594 0.80 HPSE (0.57) MAPTALDH1A1SMN1; SMN2HPSEPPARG
SCHEMBL5834492 0.80 APEX1 (0.51) APEX1KMT2AMAPTMEN1ALDH1A1
SCHEMBL5835045 0.79 MMP2 (0.53) RIPK1KMT2AMAPTMEN1ALDH1A1
SCHEMBL6498374 0.79 CETP (0.39) RIPK1APEX1KMT2AMAPTMEN1
SCHEMBL5835003 0.79 HPSE (0.59) MAPTALDH1A1SMN1; SMN2HPSEPPARG
SCHEMBL5834497 0.78 MMP2 (0.58) RIPK1KMT2AMAPTMEN1ALDH1A1

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 RIPK1 3380/4885APEX1 2470/4885KMT2A 1011/4885

“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.