SCHEMBL21174848

SCHEMBL21174848

Cl[Fe].Nc1ccccc1C1=C2C=CC(=N2)C(c2ccccc2N)=C2C=CC(=N2)C(c2ccccc2N)=C2C=CC(=N2)C(c2ccccc2N)=C2C=CC1=N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HSD17B10 Q99714 3/20 0.36
▸ IDO1 P14902 4/20 0.33
▸ DCUN1D1 Q96GG9 1/20 0.32
▸ SMN1; SMN2 Q16637 5/20 0.31
▸ KDM4E B2RXH2 5/20 0.31
▸ NPC1 O15118 4/20 0.31
▸ GAA P10253 4/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL3118129 0.94 ALDH1A1 (0.46) ALDH1A1L3MBTL1HSD17B10IDO1DCUN1D1
SCHEMBL9388936 0.81 NPC1 (0.37) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2KDM4E
SCHEMBL9718917 0.76 CYP2A6 (0.40) ALDH1A1HSD17B10IDO1DCUN1D1SMN1; SMN2
SCHEMBL28541499 0.74 ALDH1A1 (0.35) ALDH1A1HSD17B10SMN1; SMN2KDM4ENPC1
SCHEMBL498541 0.72 ALDH1A1 (0.40) ALDH1A1L3MBTL1HSD17B10IDO1DCUN1D1
SCHEMBL5918765 0.72 IDO1 (0.35) IDO1
SCHEMBL272832 0.69 ALDH1A1 (0.34) ALDH1A1HSD17B10SMN1; SMN2KDM4ENPC1
Dimethylamine SCHEMBL21174846 0.68 TDP1 (0.31) TDP1
SCHEMBL6394393 0.68 MAPT (0.36) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2KDM4E
SCHEMBL10570890 0.68 ALDH1A1 (0.44) ALDH1A1L3MBTL1HSD17B10DCUN1D1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484890-B1 SELECTIVE PORPHYRIN-CATALYZED ELECTROCHEMICAL REDUCTION OF CO2 INTO CO, IN PARTICULAR IN WATER CENTRE NAT RECH SCIENT (FR) 2020-09-02 — — EP disclosed
US-20190224660-A1 SELECTIVE PORPHYRIN-CATALYZED ELECTROCHEMICAL REDUCTION OF CO2 INTO CO, IN PARTICULAR IN WATER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-07-25 — — 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-20190224660-A1 SELECTIVE PORPHYRIN-CATALYZED ELECTROCHEMICAL REDUCTION OF CO2 INTO CO, IN PARTICULAR IN WATER CYC1, TFRC, PYCR1 ALDH1A1 2261/4885L3MBTL1 2772/4885HSD17B10 2790/4885

“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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