SCHEMBL12587047

SCHEMBL12587047

N/C(=N/O)c1cccc(C(=O)OCCOCCCl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ SERPINE1 P05121 2/20 0.40
▸ KDM1A O60341 4/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SLC7A5 Q01650 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 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
SCHEMBL12587117 0.92 KDM1A (0.41) SMN1; SMN2SERPINE1KDM1ACYP1A2TDP1
SCHEMBL12354563 0.86 TDP1 (0.45) SMN1; SMN2SERPINE1KDM1ACYP1A2TDP1
SCHEMBL12362249 0.86 TDP1 (0.45) SMN1; SMN2SERPINE1KDM1ACYP1A2TDP1
SCHEMBL12643428 0.85 TDP1 (0.47) KDM1ATDP1SLC7A5MAPTKMT2A
SCHEMBL12586961 0.85 TDP1 (0.47) KDM1ATDP1SLC7A5MAPTKMT2A
SCHEMBL12113871 0.84 TDP1 (0.46) KDM1ATDP1MAPTKMT2ALMNA
SCHEMBL12586965 0.84 TDP1 (0.46) KDM1ATDP1MAPTKMT2ALMNA
SCHEMBL12112450 0.84 TDP1 (0.46) KDM1ATDP1MAPTKMT2ALMNA
SCHEMBL16572032 0.78 CYP1A2 (0.52) SMN1; SMN2CYP1A2TDP1MAPTLMNA
SCHEMBL6596210 0.77 CYP4F2 (0.51) SMN1; SMN2CYP1A2POLBKMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968156-B2 Compound, composition, retardation plate, elliptically-polarizing plate and liquid-crystal display device FUJIFILM CORPORATION (JP) 2011-06-28 — — US disclosed
US-20090233009-A1 COMPOUND, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND LIQUID-CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2009-09-17 — — 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-20090233009-A1 COMPOUND, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND LIQUID-CRYSTAL DISPLAY DEVICE PYM1, CCNA1, CCND1 SMN1; SMN2 649/4885SERPINE1 1402/4885KDM1A 1635/4885

“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.

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