SCHEMBL770597

SCHEMBL770597

O=S(=O)(O)CCc1ccc(Br)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.38
PARP1 P09874 1/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
P4HTM Q9NXG6 1/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRM2 Q14416 1/20 0.33
NFKB1 P19838 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
FDFT1 P37268 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL769729 0.90 NFKB1 (0.37) CYP11B1PARP1MMP2MMP9MMP8
SCHEMBL770656 0.88 MGLL (0.38) CYP11B1PARP1MMP2MMP9MMP8
SCHEMBL24669612 0.82 RECQL (0.50) CYP11B1PARP1MMP2MMP9MMP8
SCHEMBL8847221 0.80 HTR2A (0.41) P4HTMHTR2AKCNH2GRM2NFKB1
SCHEMBL8847338 0.80 P4HTM (0.35) MMP13P4HTMHTR2AKCNH2NFKB1
SCHEMBL769975 0.79 HTR2A (0.41) CYP11B1MMP2MMP9MMP8MMP13
SCHEMBL769695 0.79 ALDH1A1 (0.46) L3MBTL1KDM4EMEN1ALDH1A1MAPT
SCHEMBL5628 0.75 CYP11B1 (0.43) CYP11B1PARP1P4HTMGRM2NFKB1
SCHEMBL3134989 0.75 TAAR1 (0.46) HTR2AKMT2A
SCHEMBL28039971 0.75 MAPT (0.40) HTR2AKCNH2NFKB1L3MBTL1KDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926274-B2 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO., LTD. (JP) 2018-03-27 US disclosed
EP-2650283-B1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO (JP) 2017-06-07 EP disclosed
EP-2650282-B1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO (JP) 2017-06-07 EP disclosed
US-20150141653-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO (JP) 2015-05-21 US disclosed
US-9000156-B2 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO., LTD. (JP) 2015-04-07 US disclosed
US-20140323724-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO (JP) 2014-10-30 US disclosed
EP-2141149-B1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO (JP) 2014-10-29 EP disclosed
EP-2650282-A1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO., LTD. (JP) 2013-10-16 EP disclosed
EP-2650283-A1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO., LTD. (JP) 2013-10-16 EP disclosed
US-20120071656-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO., LTD. (JP) 2012-03-22 US disclosed
US-20100121054-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO., LTD. (JP) 2010-05-13 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 (4 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-20120071656-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT CYP11B1 2437/4885PARP1 1970/4885MMP2 663/4885
US-20140323724-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT CYP11B1 2437/4885PARP1 1970/4885MMP2 663/4885
US-20150141653-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT CYP11B1 2437/4885PARP1 1970/4885MMP2 663/4885
US-20100121054-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT CYP11B1 1569/4885PARP1 2189/4885MMP2 787/4885

“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.