SCHEMBL9906202

SCHEMBL9906202

Nc1ccc(CC2CN(CC(=O)O)CCN(CC(=O)O)CCOCCN2CC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
FOLH1 Q04609 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
USP2 O75604 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
CD274 Q9NZQ7 1/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CHIT1 Q13231 2/20 0.35
ATM Q13315 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
S1PR1 P21453 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
SCHEMBL4098689 0.98 HSD17B10 (0.44) HSD17B10FOLH1LMNASMN1; SMN2ALDH1A1
SCHEMBL23627788 0.98 HSD17B10 (0.44) HSD17B10FOLH1LMNASMN1; SMN2ALDH1A1
SCHEMBL15904929 0.91 FOLH1 (0.45) FOLH1CHIT1CA1CA2CA9
SCHEMBL1996255 0.91 FOLH1 (0.45) FOLH1CHIT1CA1CA2CA9
SCHEMBL5864632 0.91 FOLH1 (0.45) FOLH1CHIT1CA1CA2CA9
SCHEMBL1079200 0.91 FOLH1 (0.45) FOLH1CHIT1CA1CA2CA9
SCHEMBL17119211 0.91 FOLH1 (0.45) FOLH1CHIT1CA1CA2CA9
Hydrochloric Acid SCHEMBL31226505 0.89 FOLH1 (0.44) FOLH1CHIT1CA1CA2CA9
SCHEMBL18807568 0.89 HSD17B10 (0.44) HSD17B10FOLH1LMNASMN1; SMN2ALDH1A1
SCHEMBL18807566 0.89 HSD17B10 (0.44) HSD17B10FOLH1LMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220401856-A1 CHROMATOGRAPHIC SEPARATION OF METALS USING DOTA-BASED CHELATORS NRG PALLAS B.V. (NL) 2022-12-22 US disclosed
EP-2004642-B1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2017-07-26 EP disclosed
US-8518715-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2013-08-27 US disclosed
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2012-11-01 US disclosed
US-8198101-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2012-06-12 US disclosed
US-8198101-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2012-06-12 US disclosed
US-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents MDS (CANADA) INC. (CA) 2009-08-13 US disclosed
US-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents MDS (CANADA) INC. (CA) 2009-08-13 US disclosed
WO-2007104135-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS MDS (CANADA) INC. (CA) 2007-09-20 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 (3 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-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents LPXN, FCGRT, POLQ HSD17B10 4783/4885FOLH1 110/4885LMNA 354/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 HSD17B10 4792/4885FOLH1 91/4885LMNA 338/4885
US-20220401856-A1 CHROMATOGRAPHIC SEPARATION OF METALS USING DOTA-BASED CHELATORS CCKBR, TBCB, ABCB7 HSD17B10 4580/4885FOLH1 180/4885LMNA 2117/4885

“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.