SCHEMBL5425957

SCHEMBL5425957

NCc1cccc2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4c(CN)cccc34)c(P(c3ccccc3)c3ccccc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ PNMT P11086 2/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ HTR6 P50406 1/20 0.31
▸ DRD1 P21728 2/20 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
SCHEMBL19009976 0.83 CYP3A4 (0.37) LOXL2CYP3A4TDP1DPP4PNMT
Bromide SCHEMBL15463465 0.82 CYP3A4 (0.35) LOXL2CYP3A4TDP1DPP4CYP2A6
Bromide SCHEMBL14687033 0.81 CYP3A4 (0.34) LOXL2CYP3A4TDP1DPP4CYP2A6
SCHEMBL14627616 0.80 KDM4E (0.31) LOXL2
SCHEMBL3940105 0.78 ALDH1A1 (0.46) CYP3A4TDP1DRD1
SCHEMBL14596146 0.76 CYP3A4 (0.39) CYP3A4TDP1PNMTDRD1
SCHEMBL12700939 0.75 CYP3A4 (0.46) LOXL2CYP3A4TDP1DPP4PNMT
SCHEMBL3425344 0.75 CYP3A4 (0.38) CYP3A4TDP1DRD1
SCHEMBL6700842 0.72 ASIC3 (0.42) LOXL2CYP3A4TDP1CYP2A6
SCHEMBL29463705 0.72 PNMT (0.52) LOXL2CYP3A4TDP1DPP4PNMT

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-20070010695-A1 Diphosphines, preparation and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-01-11 — — US disclosed
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 LOXL2 3249/4885CYP3A4 1000/4885TDP1 655/4885

“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.

Send feedback