SCHEMBL5648013

SCHEMBL5648013

O=S(=O)(Nc1ccccc1)c1ccc(CCBr)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
ALDH1A1 P00352 2/20 0.62
PKM P14618 1/20 0.62
HTR6 P50406 2/20 0.62
IL1RN P18510 1/20 0.61
KEAP1 Q14145 1/20 0.61
ERAP1 Q9NZ08 1/20 0.61
CA12 O43570 4/20 0.57
CA9 Q16790 4/20 0.57
CA2 P00918 3/20 0.57
CA1 P00915 2/20 0.57
HDAC1 Q13547 4/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC4 P56524 1/20 0.55
PRMT1 Q99873 1/20 0.54
LIMK2 P53671 2/20 0.52
LIMK1 P53667 1/20 0.52
GAA P10253 1/20 0.51

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
SCHEMBL28692275 0.86 KMT2A (0.67) KMT2AMEN1ALDH1A1PKMHTR6
SCHEMBL11055810 0.83 POLB (0.52) KMT2AMEN1ALDH1A1PKMHTR6
SCHEMBL9231538 0.83 KMT2A (0.62) KMT2AMEN1ALDH1A1PKMHTR6
SCHEMBL10960830 0.83 TDP1 (0.52) ALDH1A1HTR6KEAP1CA12CA9
Water SCHEMBL27650777 0.80 FFAR1 (0.72) KMT2AMEN1ALDH1A1PKMHTR6
SCHEMBL10088132 0.79 KMT2A (0.67) KMT2AMEN1ALDH1A1PKMHTR6
SCHEMBL12058761 0.79 UCHL1 (0.75) KMT2AMEN1ALDH1A1PKMHTR6
SCHEMBL7610798 0.79 HTR6 (0.73) KMT2AMEN1ALDH1A1PKMHTR6
SCHEMBL10453153 0.79 KMT2A (0.67) KMT2AMEN1ALDH1A1PKMHTR6
SCHEMBL8643787 0.78 PRMT1 (0.68) KMT2AMEN1ALDH1A1PKMHTR6

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-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 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-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 KMT2A 2948/4885MEN1 3030/4885ALDH1A1 1438/4885

“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.