SCHEMBL14907918

SCHEMBL14907918

COC(=O)C#Cc1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GPR183 P32249 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
TP53 P04637 2/20 0.44
PKM P14618 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44

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
SCHEMBL861568 0.84 RAB9A (0.52) MEN1KMT2AGPR183SMN1; SMN2KDM4E
SCHEMBL16329717 0.83 MEN1 (0.47) MEN1KMT2AGPR183SMN1; SMN2ALDH1A1
SCHEMBL5379969 0.81 ALDH1A1 (0.51) MEN1KMT2AGPR183SMN1; SMN2ALDH1A1
SCHEMBL5204866 0.80 ALDH1A1 (0.46) MEN1KMT2AGPR183SMN1; SMN2ALDH1A1
SCHEMBL10428878 0.78 MEN1 (0.61) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL7920809 0.76 CA12 (0.48) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10428889 0.74 KMT2A (0.47) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7567610 0.74 RARB (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4656696 0.73 CYP3A4 (0.45) ALDH1A1HSD17B10
SCHEMBL3671715 0.73 ATM (0.50) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1

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-9453004-B2 Formylated xanthocillin analogues as neuroprotective agents NEURON BIOPHARMA, S.A. (ES) 2016-09-27 US disclosed
US-9453004-B2 Formylated xanthocillin analogues as neuroprotective agents NEURON BIOPHARMA, S.A. (ES) 2016-09-27 US disclosed
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20150011621-A1 FORMYLATED XANTHOCILLIN ANALOGUES AS NEUROPROTECTIVE AGENTS NEURON BIOPHARMA, S.A. (ES) 2015-01-08 US disclosed
US-20150011621-A1 FORMYLATED XANTHOCILLIN ANALOGUES AS NEUROPROTECTIVE AGENTS NEURON BIOPHARMA, S.A. (ES) 2015-01-08 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 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 (2 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-20140296204-A1 CHEMICAL COMPOUNDS DNMT1, DNMT3A, DNMT3B MEN1 2219/4885KMT2A 15/4885GPR183 2787/4885
US-20150011621-A1 FORMYLATED XANTHOCILLIN ANALOGUES AS NEUROPROTECTIVE AGENTS FPR1, FPR2, FPR3 MEN1 797/4885KMT2A 4313/4885GPR183 2357/4885

“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.