SCHEMBL5780079

SCHEMBL5780079

COc1cc(C=NNc2ccc(-n3ccnc3)cc2)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.63
GAA P10253 10/20 0.59
MAPT P10636 9/20 0.59
KDM4E B2RXH2 4/20 0.59
RAB9A P51151 3/20 0.59
POLB P06746 3/20 0.59
NPC1 O15118 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
APEX1 P27695 1/20 0.59
CASP6 P55212 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
ALDH1A1 P00352 3/20 0.53
PKM P14618 2/20 0.53
ATM Q13315 1/20 0.53
KMT2A Q03164 1/20 0.50
NT5E P21589 1/20 0.50

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
SCHEMBL5780077 1.00 MPO (0.63) MPOGAAMAPTKDM4ERAB9A
SCHEMBL5778976 0.89 CA12 (0.54) MPOGAAMAPTKDM4ERAB9A
SCHEMBL5778973 0.89 CA12 (0.54) MPOGAAMAPTKDM4ERAB9A
SCHEMBL5778730 0.84 CA12 (0.49) MPOGAAMAPTKDM4ERAB9A
SCHEMBL5779515 0.84 MAPT (0.65) MPOGAAMAPTKDM4ERAB9A
SCHEMBL5778732 0.84 CA12 (0.49) MPOGAAMAPTKDM4ERAB9A
SCHEMBL5779517 0.84 MAPT (0.65) MPOGAAMAPTKDM4ERAB9A
SCHEMBL5778485 0.81 CA12 (0.50) MPOGAAMAPTKDM4ERAB9A
SCHEMBL5778483 0.81 CA12 (0.50) MPOGAAMAPTKDM4ERAB9A
SCHEMBL5776386 0.78 CA12 (0.44) GAAMAPTKDM4ERAB9APOLB

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-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP 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-20060276433-A1 Hydrazone derivative APP, PRNP, HTT MPO 2642/4885GAA 3175/4885MAPT 94/4885

“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.