SCHEMBL14596133

SCHEMBL14596133

N#Cc1cccc2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4c(C#N)cccc34)c(P(c3ccccc3)c3ccccc3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ PNMT P11086 1/20 0.37
▸ IMPDH2 P12268 3/20 0.37
▸ IMPDH1 P20839 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ AR P10275 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ DRD1 P21728 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SLC6A2 P23975 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
SCHEMBL14627618 0.80 MAPT (0.35) CA1CA2PNMTIMPDH2IMPDH1
SCHEMBL12742936 0.78 CA1 (0.39) CA1CA2IMPDH2IMPDH1TDP1
SCHEMBL14596146 0.76 CYP3A4 (0.39) PNMTTDP1CYP3A4DRD1MEN1
SCHEMBL8468481 0.75 CYP3A4 (0.46) CA1CA2IMPDH2TDP1CYP3A4
SCHEMBL30669868 0.75 CYP3A4 (0.46) CA1CA2IMPDH2TDP1CYP3A4
SCHEMBL3425344 0.75 CYP3A4 (0.38) TDP1CYP3A4DRD1
SCHEMBL3940105 0.75 ALDH1A1 (0.46) TDP1CYP3A4DRD1ALDH1A1TSHR
SCHEMBL30399979 0.73 TSHR (0.47) CA1CA2TDP1CYP3A4AR
SCHEMBL28626744 0.73 TSHR (0.47) CA1CA2TDP1CYP3A4AR
SCHEMBL15659620 0.73 SMN1; SMN2 (0.41) CA1CA2TDP1CYP3A4DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010695-A1 Diphosphines, preparation and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-01-11 — — 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-20070010695-A1 Diphosphines, preparation and uses thereof MPI, ITPA, DCPS CA1 3712/4885CA2 2115/4885PNMT 728/4885

“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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