SCHEMBL19301043

SCHEMBL19301043

CN(C)/N=C\c1cccc2c1C(=O)OC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 3/20 0.39
TDP1 Q9NUW8 6/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 5/20 0.34
ALDH1A1 P00352 4/20 0.34
HTT P42858 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPK1 P28482 3/20 0.34
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.30
NSD2 O96028 1/20 0.30
EGFR P00533 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL5120606 1.00 TYMS (0.39) TYMSTDP1ALOX15KDM4ECYP1A2
SCHEMBL29380022 1.00 TYMS (0.39) TYMSTDP1ALOX15KDM4ECYP1A2
SCHEMBL5120598 1.00 TYMS (0.39) TYMSTDP1ALOX15KDM4ECYP1A2
SCHEMBL19300884 0.84 MAPT (0.41) TDP1KDM4EMAPTALDH1A1HTT
SCHEMBL19300899 0.84 MAPT (0.45) TYMSTDP1ALOX15KDM4ECYP1A2
SCHEMBL14386176 0.78 TYMS (0.42) TYMSTDP1ALOX15KDM4ECYP1A2
SCHEMBL14385523 0.77 PTGS2 (0.42) TYMSTDP1ALOX15KDM4ECYP1A2
SCHEMBL19301122 0.77 G6PC1 (0.49) TYMSTDP1ALOX15KDM4EMAPT
SCHEMBL10432889 0.73 TDP1 (0.46) TYMSTDP1ALOX15KDM4ECYP1A2
SCHEMBL20668098 0.73 MAPT (0.34) TDP1MAPTALDH1A1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3915970-A1 AROMATIC COMPOUNDS FROM FURANICS Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) 2021-12-01 EP disclosed
EP-3419957-B1 AROMATIC COMPOUNDS FROM FURANICS TNO (NL) 2021-09-29 EP disclosed
US-10562875-B2 Aromatic compounds from furanics NEDERLANDSE ORGANISAITE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2020-02-18 US disclosed
US-20190023678-A1 AROMATIC COMPOUNDS FROM FURANICS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2019-01-24 US disclosed
WO-2017146581-A1 AROMATIC COMPOUNDS FROM FURANICS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2017-08-31 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-20190023678-A1 AROMATIC COMPOUNDS FROM FURANICS PAH, AOX1, TYR TYMS 387/4885TDP1 1783/4885ALOX15 325/4885
US-10562875-B2 Aromatic compounds from furanics PAH, AOX1, TYR TYMS 387/4885TDP1 1783/4885ALOX15 325/4885

“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.