SCHEMBL5834739

SCHEMBL5834739

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.41
CEPT1 Q9Y6K0 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.35
POLB P06746 2/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
AMY1A P0DUB6 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
PPARG P37231 1/20 0.35
HPSE Q9Y251 3/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KAT2B Q92831 1/20 0.34
HCAR3 P49019 1/20 0.34

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
SCHEMBL5835365 0.84 RIPK1 (0.44) RIPK1TP53MAPTPOLBF7
SCHEMBL5834491 0.83 RAB9A (0.46) RIPK1MAPTPPARGHPSEKMT2A
SCHEMBL5835008 0.83 CEPT1 (0.37) CEPT1TP53MAPTHPSEKMT2A
SCHEMBL5834847 0.82 AMY1A (0.47) CEPT1MAPTF7F3AMY1A
SCHEMBL5834875 0.80 RIPK1 (0.44) RIPK1TP53MAPTCCNT1CDK9
SCHEMBL5834245 0.79 SMN1; SMN2 (0.46) RIPK1CEPT1MAPTPOLBCCNT1
SCHEMBL5834923 0.79 HPSE (0.48) RIPK1MAPTPPARGHPSEKMT2A
SCHEMBL5835045 0.78 MMP2 (0.53) RIPK1TP53MAPTPPARGHPSE
SCHEMBL6499842 0.77 RIPK1 (0.40) RIPK1TP53MAPTF7F3
SCHEMBL5834135 0.76 HPSE (0.57) MAPTPPARGHPSEKMT2AALDH1A1

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 3380/4885CEPT1 2136/4885TP53 52/4885

“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.