SCHEMBL16746557

SCHEMBL16746557

CCCOCCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1C1(c2ccccc2OCCOCCCS(=O)(=O)O)N=C(c2ccccc2)C(c2ccccc2)=N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.35
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 2/20 0.31
FABP4 P15090 2/20 0.31
FABP5 Q01469 2/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RARB P10826 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 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
SCHEMBL16749551 0.96 POLB (0.33) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16746555 0.86 FABP4 (0.33) POLBLMNAFABP4FABP5MAPT
SCHEMBL23816808 0.84 MEN1 (0.37) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16749582 0.83 FABP4 (0.32) FABP4FABP5
SCHEMBL4191996 0.80 GAA (0.38) KDM4EALDH1A1SMN1; SMN2LMNAFABP4
SCHEMBL29514957 0.80 GAA (0.38) KDM4EALDH1A1SMN1; SMN2LMNAFABP4
SCHEMBL16746553 0.79
SCHEMBL16790709 0.79 HTR1D (0.33)
SCHEMBL16938831 0.79 ALDH1A1 (0.33) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16355185 0.76 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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-9371460-B2 Photopolymerization method, ink set, ink composition, and water-soluble biimidazole FUJIFILM CORPORATION (JP) 2016-06-21 US disclosed
US-20150148442-A1 PHOTOPOLYMERIZATION METHOD, INK SET, INK COMPOSITION, AND WATER-SOLUBLE BIIMIDAZOLE FUJIFILM CORPORATION (JP) 2015-05-28 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-20150148442-A1 PHOTOPOLYMERIZATION METHOD, INK SET, INK COMPOSITION, AND WATER-SOLUBLE BIIMIDAZOLE JAK1, SETDB1, CCNI KDM4E 249/4885ALDH1A1 561/4885SMN1; SMN2 4404/4885

“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.