SCHEMBL19300899

SCHEMBL19300899

CN(/N=C\c1cccc2c1C(=O)OC2=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.45
MEN1 O00255 9/20 0.45
KMT2A Q03164 9/20 0.45
TDP1 Q9NUW8 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 3/20 0.41
HCRTR1 O43613 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL29380022 0.84 TYMS (0.39) MAPTMEN1KMT2ATDP1RAB9A
SCHEMBL5120606 0.84 TYMS (0.39) MAPTMEN1KMT2ATDP1RAB9A
SCHEMBL5120598 0.84 TYMS (0.39) MAPTMEN1KMT2ATDP1RAB9A
SCHEMBL19301043 0.84 TYMS (0.39) MAPTMEN1KMT2ATDP1RAB9A
SCHEMBL19301122 0.77 G6PC1 (0.49) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL14385523 0.75 PTGS2 (0.42) MAPTTDP1SMN1; SMN2RAB9ANPC1
SCHEMBL14386176 0.72 TYMS (0.42) TDP1ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL28045547 0.71 MAPT (0.55) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL1702594 0.70 MEN1 (0.51) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL28045461 0.70 MEN1 (0.51) MAPTMEN1KMT2ATDP1SMN1; SMN2

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 MAPT 3857/4885MEN1 2671/4885KMT2A 2143/4885
US-10562875-B2 Aromatic compounds from furanics PAH, AOX1, TYR MAPT 3857/4885MEN1 2671/4885KMT2A 2143/4885

“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.