SCHEMBL770135

SCHEMBL770135

O=S(=O)(O)CCCCc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.59
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HRH1 P35367 2/20 0.56
CYP2A6 P11509 1/20 0.54
PTAFR P25105 2/20 0.49
CHRNA7 P36544 1/20 0.49
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
FDPS P14324 1/20 0.45

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
SCHEMBL23795746 0.88 TDP1 (0.65) TBXAS1TDP1L3MBTL1HRH1CYP2A6
SCHEMBL769818 0.88 CHRNA7 (0.53) TBXAS1TDP1L3MBTL1HRH1CYP2A6
SCHEMBL28594585 0.84 TDP1 (0.59) TBXAS1TDP1L3MBTL1HRH1CYP2A6
SCHEMBL23795734 0.84 TDP1 (0.59) TBXAS1TDP1L3MBTL1HRH1CYP2A6
SCHEMBL29485675 0.82 TDP1 (0.80) TBXAS1TDP1L3MBTL1HRH1CYP2A6
SCHEMBL724788 0.82 TDP1 (0.80) TBXAS1TDP1L3MBTL1HRH1CYP2A6
SCHEMBL2845851 0.80 HRH1 (0.81) TBXAS1TDP1L3MBTL1HRH1CYP2A6
SCHEMBL29485667 0.80 HRH1 (0.81) TBXAS1TDP1L3MBTL1HRH1CYP2A6
SCHEMBL29485634 0.80 HRH1 (0.81) TBXAS1TDP1L3MBTL1HRH1CYP2A6
SCHEMBL8658187 0.80 HRH1 (0.81) TBXAS1TDP1L3MBTL1HRH1CYP2A6

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 20 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-2650282-B1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO (JP) 2017-06-07 EP disclosed
EP-2650283-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
CN-102643170-A Method for synthesizing para-tert-butylcatechol by using acid-mixed mixed system containing ionic liquid UNIV HEBEI TECHNOLOGY 2012-08-22 CN 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
EP-2141149-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE Nippon Soda Co., Ltd. (JP) 2010-01-06 EP disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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 (6 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 TBXAS1 2484/4885TDP1 2041/4885L3MBTL1 1877/4885
US-20140323724-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT TBXAS1 2484/4885TDP1 2041/4885L3MBTL1 1877/4885
US-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 TBXAS1 1002/4885TDP1 1197/4885L3MBTL1 4124/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TBXAS1 788/4885TDP1 326/4885L3MBTL1 2776/4885
US-20150141653-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT TBXAS1 2484/4885TDP1 2041/4885L3MBTL1 1877/4885
US-20100121054-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT TBXAS1 2208/4885TDP1 2615/4885L3MBTL1 1899/4885

“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.