SCHEMBL1596044

SCHEMBL1596044

Nc1c(Cl)cc(C(c2cc(Cl)c(N)c(-c3ccccc3)c2)C(c2cc(Cl)c(N)c(-c3ccccc3)c2)c2cc(Cl)c(N)c(-c3ccccc3)c2)cc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
CSNK2A1 P68400 2/20 0.40
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 1/20 0.36
MAP4K4 O95819 1/20 0.36
SMARCA2 P51531 1/20 0.35

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
SCHEMBL1596595 0.86 HSD17B10 (0.44) HSD17B10ALDH1A1LMNAHPGDSMARCA2
SCHEMBL5174258 0.79 ALDH1A1 (0.52) CYP2A6CSNK2A1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL7246163 0.79 CYP2A6 (0.46) CYP2A6CSNK2A1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL1596288 0.78 HSD17B10 (0.57) CYP2A6CSNK2A1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL1596886 0.78 ESR2 (0.39) CYP2A6HSD17B10ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL30343480 0.78 HSD17B10 (0.57) CYP2A6CSNK2A1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4687459 0.76 CYP2A6 (0.43) CYP2A6CSNK2A1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL1595637 0.75 CYP3A4 (0.55) HSD17B10ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL1596056 0.74 KMT2A (0.42) CYP2A6HSD17B10ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL27685446 0.71 CSNK2A1 (0.49) CYP2A6CSNK2A1HSD17B10ALDH1A1SMN1; SMN2

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
EP-1780224-B1 MULTIBRANCHED POLYMERS AND PROCESS FOR PRODUCTION THEREOF NIPPON SODA CO (JP) 2015-02-18 EP disclosed
US-8710165-B2 Multibranched polymer and method for producing the same NIPPON SODA CO., LTD. (JP) 2014-04-29 US disclosed
US-20110152388-A1 Multibranched polymer and method for producing the same NIPPON SODA CO., LTD. (JP) 2011-06-23 US disclosed
US-7919570-B2 narrowly dispersed; controlled molecular weight; ionic conductivity, shape stability; battery adhesive or binder; 1,1,2,2-tetrakis(4-hydroxyphenyl)ethane or pentaerythritol reacted with bromoisobutyroyl bromide for core; living radical polymerization of acrylate or a styrene at halogen atoms as the arms NIPPON SODA CO., LTD. (JP) 2011-04-05 US disclosed
US-7601784-B2 1,1,2,2-tetrakis(4-hydroxyphenyl)ethane is used to molecular alignment, chemical stabilization, heat resist, flexiable and modification of the polyether having hydrogen bond sites; for waste water treatments, energy transducers, conductors NIPPON SODA CO., LTD. (JP) 2009-10-13 US disclosed
US-20080214685-A1 Multibrached Polymer and Method for Producing the Same NIPPON SODA CO., LTD. (JP) 2008-09-04 US disclosed
EP-1792947-A1 Molecular compound comprising polymer having hydrogen bond as component compound NIPPON SODA CO., LTD. (JP) 2007-06-06 EP disclosed
EP-1780224-A1 MULTIBRANCHED POLYMERS AND PROCESS FOR PRODUCTION THEREOF NIPPON SODA CO., LTD. (JP) 2007-05-02 EP disclosed
US-20050228167-A1 Molecular compounds containing polymers having hydrogen bond sites as the constituent compounds NIPPON SODA CO., LTD. (JP) 2005-10-13 US disclosed
US-20020193528-A1 Molecular compound comprising polymer having hydrogen bond as component compound NIPPON SODA CO., LTD. (JP) 2002-12-19 US disclosed
EP-1241230-A1 MOLECULAR COMPOUND COMPRISING POLYMER HAVING HYDROGEN BOND AS COMPONENT COMPOUND NIPPON SODA CO., LTD. (JP) 2002-09-18 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-20020193528-A1 Molecular compound comprising polymer having hydrogen bond as component compound PIEZO1, PARN, PARG CYP2A6 4784/4885CSNK2A1 1707/4885HSD17B10 3191/4885

“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.