SCHEMBL3204629

SCHEMBL3204629

C=C(C)CNc1[c]cccc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KCNH2 Q12809 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 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
SCHEMBL8152713 0.83 MAOA (0.33)
SCHEMBL6599381 0.81 TDP1 (0.34) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL16294303 0.76 CDC25A (0.40) MAPTALDH1A1TDP1MEN1GAA
SCHEMBL343994 0.74
SCHEMBL5698142 0.71 AGTR1 (0.50) MAPTALDH1A1TDP1MEN1GAA
SCHEMBL1355267 0.71 KDM4E (0.42) MAPTALDH1A1MEN1GAAKMT2A
SCHEMBL2182651 0.71 IDO1 (0.38) ALDH1A1GAAKMT2ALMNAHTT
SCHEMBL5472820 0.70
SCHEMBL5480767 0.70
SCHEMBL5974410 0.70 PKM (0.46) CCNA2CDK2MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2067770-B1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER WAKO PURE CHEM IND LTD (JP) 2017-04-12 EP disclosed
EP-2821395-A2 Novel disulfonic acid ester as an additive for an electrolyte for a lithium secondary battery Wako Pure Chemical Industries, Ltd. (JP) 2015-01-07 EP disclosed
US-8716513-B2 Process for production of bis-quaternary ammonium salt, and novel intermediate WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-05-06 US disclosed
US-8269038-B2 Process for production of sulfonic acid ester WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-09-18 US disclosed
EP-2463266-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE Wako Pure Chemical Industries, Ltd. (JP) 2012-06-13 EP disclosed
US-20120130107-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-05-24 US disclosed
US-20100041916-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-02-18 US disclosed
EP-2067770-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER Wako Pure Chemical Industries, Ltd. (JP) 2009-06-10 EP disclosed
EP-0379423-B1 PROCESS FOR THE PREPARATION OF PHENYLPROPIONIC ACID BOUCHARA S.A. (FR) 1993-06-23 EP disclosed
EP-0379423-A1 Process for the preparation of phenylpropionic acid BOUCHARA S.A. (FR) 1990-07-25 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 (2 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-20100041916-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER SULT1A1, SULT2A1, STS CCNA2 3634/4885CDK2 3150/4885MAPT 4771/4885
US-20120130107-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE ASS1, C1S, FHIT CCNA2 2107/4885CDK2 4389/4885MAPT 3699/4885

“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.