SCHEMBL10585378

SCHEMBL10585378

O=S(=O)(O)c1ccc(S(=O)(=O)O)c(Nc2ncncn2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIMP3 P35625 2/20 0.35
▸ SNCA P37840 2/20 0.35
▸ CASP6 P55212 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ TNNI3K Q59H18 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ RHOA P61586 1/20 0.32
▸ BRAF P15056 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NAPRT Q6XQN6 1/20 0.31
▸ CHAT P28329 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ THRB P10828 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
SCHEMBL10586071 0.88 TIMP3 (0.44) TIMP3SNCACASP6ALDH1A1HSD17B10
SCHEMBL14388298 0.83 CHAT (0.37) TIMP3SNCACASP6ALDH1A1HSD17B10
SCHEMBL18902955 0.82 TNNI3K (0.40) SNCACASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL14388295 0.82 HTT (0.45) CASP6ALDH1A1HSD17B10KDM4ECYP2C9
SCHEMBL9422589 0.81 LRRK2 (0.45) SNCACASP6ALDH1A1KMT2A
SCHEMBL7899594 0.80 CDK2 (0.42) SNCACASP6ALDH1A1HSD17B10KDM4E
SCHEMBL14614602 0.79 CA1 (0.38) SNCACASP6TNNI3K
SCHEMBL21925291 0.79 CHAT (0.43) TIMP3SNCACASP6ALDH1A1HSD17B10
SCHEMBL14388297 0.78 CA12 (0.40) TNNI3KRECQL
SCHEMBL4104068 0.78 CA12 (0.47) SNCATSHRCHATAPEX1

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-20070022903-A1 Phthalocyanine dye and use thereof for ink-jet printing NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-02-01 — — US disclosed
EP-0321784-A2 Formazane dyes containing heavy metals, process for their preparation and their use in dyeing and printing fibrous materials BAYER AG (DE) 1989-06-28 — — 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-20070022903-A1 Phthalocyanine dye and use thereof for ink-jet printing TYR, TDO2, TH TIMP3 4113/4885SNCA 2180/4885CASP6 4207/4885

“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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