SCHEMBL684850

SCHEMBL684850

C/C(=N\NC(=O)c1ccc(C)cc1C)c1ccccc1O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.63
MAPT P10636 6/20 0.56
LMNA P02545 6/20 0.56
GAA P10253 4/20 0.56
RAB9A P51151 7/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
KMT2A Q03164 5/20 0.56
KDM4E B2RXH2 4/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NPC1 O15118 5/20 0.52
POLB P06746 2/20 0.52
PKM P14618 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52

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
SCHEMBL683729 0.87 KDM1A (0.67) KDM1AMAPTLMNAGAARAB9A
SCHEMBL683925 0.86 KDM1A (0.54) KDM1AMAPTLMNAGAARAB9A
SCHEMBL685136 0.86 SMN1; SMN2 (0.62) KDM1AMAPTLMNAGAARAB9A
SCHEMBL684476 0.85 KDM1A (0.81) KDM1AMAPTLMNAGAARAB9A
SCHEMBL684538 0.84 MAPT (0.56) MAPTLMNAGAARAB9ASMN1; SMN2
SCHEMBL23701490 0.84 KDM1A (0.74) KDM1AMAPTLMNAGAARAB9A
SCHEMBL684855 0.84 KDM1A (0.74) KDM1AMAPTLMNAGAARAB9A
SCHEMBL1638785 0.82 RAB9A (0.70) KDM1AMAPTLMNAGAARAB9A
SCHEMBL12767332 0.82 RAB9A (0.70) KDM1AMAPTLMNAGAARAB9A
SCHEMBL683725 0.81 KDM1A (0.67) KDM1AMAPTLMNAGAARAB9A

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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 KDM1A 484/4885MAPT 1491/4885LMNA 4808/4885

“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.