SCHEMBL10035474

SCHEMBL10035474

O=C(O)c1ccc(N=Cc2cccc(C=Nc3ccc(C(=O)O)cc3)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.80
CA1 P00915 5/20 0.80
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HKDC1 Q2TB90 1/20 0.49
DHODH Q02127 1/20 0.49
TRPA1 O75762 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
UNG P13051 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL11027747 0.89 CA2 (1.00) CA2CA1CA9KMT2AMEN1
SCHEMBL10354517 0.89 CA2 (1.00) CA2CA1CA9KMT2AMEN1
SCHEMBL13310205 0.85 CA2 (0.86) CA2CA1KMT2AMEN1HKDC1
SCHEMBL15367735 0.85 CA2 (0.86) CA2CA1KMT2AMEN1HKDC1
SCHEMBL31397773 0.85 CA2 (0.86) CA2CA1KMT2AMEN1HKDC1
SCHEMBL10035473 0.84 CA2 (0.57) CA2CA1CA7CA9KMT2A
Dimethylamine SCHEMBL9588512 0.83 CA2 (0.87) CA2CA1CA9KMT2AMEN1
SCHEMBL10903951 0.81 CA2 (0.69) CA2CA1CA7CA9KMT2A
SCHEMBL2532674 0.81 CA2 (0.74) CA2CA1KMT2APTGS1PTGS2
SCHEMBL2532673 0.81 CA2 (0.74) CA2CA1KMT2APTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106142-B2 Polyacetylinic oligomers THE BOEING COMPANY (US) 2012-01-31 US disclosed
US-8106142-B2 Polyacetylinic oligomers THE BOEING COMPANY (US) 2012-01-31 US disclosed
US-8063168-B2 Oligomers with di-phenylethynyl endcaps THE BOEING COMPANY (US) 2011-11-22 US disclosed
US-8063168-B2 Oligomers with di-phenylethynyl endcaps THE BOEING COMPANY (US) 2011-11-22 US disclosed
US-20100204485-A1 POLYACETYLINIC OLIGOMERS THE BOEING COMPANY 2010-08-12 US disclosed
US-20100204412-A1 OLIGOMERS WITH DI-PHENYLETHYNYL ENDCAPS THE BOEING COMPANY 2010-08-12 US disclosed
US-20100204412-A1 OLIGOMERS WITH DI-PHENYLETHYNYL ENDCAPS THE BOEING COMPANY 2010-08-12 US disclosed
US-20100204485-A1 POLYACETYLINIC OLIGOMERS THE BOEING COMPANY 2010-08-12 US 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-20100204485-A1 POLYACETYLINIC OLIGOMERS AADAC, ACMSD, ECPAS CA2 2772/4885CA1 2316/4885CA7 1576/4885

“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.